SCHEMBL1012992

SCHEMBL1012992

CC(C)c1cc(N)n(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 5/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 9/20 0.53
RAB9A P51151 9/20 0.53
NPC1 O15118 7/20 0.53
MAPT P10636 2/20 0.53
STAT1 P42224 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
GFER P55789 1/20 0.51
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15715991 0.88 CYP1A2 (0.57) CYP1A2CYP2C19MAPK1ALDH1A1GAA
SCHEMBL2537068 0.84 SMN1; SMN2 (0.60) CYP1A2CYP2C19MAPK1ALDH1A1GAA
SCHEMBL1015016 0.83 CYP1A2 (0.44) CYP1A2CYP2C19MAPK1ALDH1A1GAA
SCHEMBL18692510 0.83 ALDH1A1 (0.69) CYP1A2CYP2C19MAPK1ALDH1A1GAA
SCHEMBL14176180 0.82 RAB9A (0.55) CYP1A2CYP2C19MAPK1ALDH1A1GAA
SCHEMBL15517207 0.82 SMN1; SMN2 (0.43) CYP1A2CYP2C19MAPK1ALDH1A1GAA
Hydrochloric Acid SCHEMBL18692693 0.82 ALDH1A1 (0.67) CYP1A2CYP2C19MAPK1ALDH1A1GAA
SCHEMBL4648694 0.82 ALDH1A1 (0.46) CYP1A2CYP2C19MAPK1ALDH1A1GAA
SCHEMBL18693213 0.82 ALDH1A1 (0.46) CYP1A2CYP2C19MAPK1ALDH1A1GAA
SCHEMBL20681363 0.81 ALDH1A1 (0.62) CYP1A2CYP2C19MAPK1ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 CN disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
EP-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 EP disclosed
EP-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 EP disclosed
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2020-05-12 US disclosed
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2020-05-12 US disclosed
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use ABBVIE SARL (LU) 2019-10-31 US disclosed
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use ABBVIE SARL (LU) 2019-10-31 US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO disclosed
WO-2008033999-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-20 WO disclosed
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-13 US disclosed
CN-101084217-A Imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof as therapeutic compounds CANCER REC TECH LTD (GB) 2007-12-05 CN disclosed
EP-1856099-A2 ACRIDINE AND QUINOLINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2007-11-21 EP disclosed
EP-1812433-A1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS Cancer Research Technology Limited (GB) 2007-08-01 EP disclosed
WO-2006094237-A2 ACRIDINE AND QUINOLINE DERVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006043090-A1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-04-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 CYP1A2 2955/4885CYP2C19 1544/4885MAPK1 128/4885
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use CFTR, CHRM3, P2RY1 CYP1A2 1945/4885CYP2C19 1090/4885MAPK1 4080/4885
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, CHRM3, P2RY1 CYP1A2 1945/4885CYP2C19 1090/4885MAPK1 4080/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 CYP1A2 2955/4885CYP2C19 1544/4885MAPK1 128/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 CYP1A2 3271/4885CYP2C19 3450/4885MAPK1 2412/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 CYP1A2 2955/4885CYP2C19 1544/4885MAPK1 128/4885
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds NR2E1, NR0B1, BRAF CYP1A2 2754/4885CYP2C19 4360/4885MAPK1 138/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 CYP1A2 3849/4885CYP2C19 3663/4885MAPK1 93/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.