SCHEMBL102223

SCHEMBL102223

CC(C)CN1CCCC(N)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.36
MMP8 P22894 2/20 0.34
MMP2 P08253 1/20 0.34
ADORA2A P29274 1/20 0.33
MMP1 P03956 1/20 0.33
PTPN11 Q06124 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRM5 P08912 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL15670728 0.96 PIK3CD (0.42) PIK3CDKDM4EPOLBKMT2AMMP8
SCHEMBL19069226 0.88 PIK3CD (0.45) PIK3CDKDM4EPOLBHRH3
SCHEMBL17149321 0.88 PIK3CD (0.45) PIK3CDKDM4EPOLBHRH3
SCHEMBL12932725 0.88 PIK3CD (0.45) PIK3CDKDM4EPOLBHRH3
Trifluoroacetic Acid SCHEMBL16114099 0.84 DPP4 (0.40) PIK3CDKDM4EKMT2AMMP8MMP2
SCHEMBL178344 0.83 KDM4E (0.39) KDM4EKMT2APTPN11
SCHEMBL13634452 0.82 ROCK2 (0.37) KDM4EMMP8MMP2PTPN11ALDH1A1
Hydrochloric Acid SCHEMBL25327051 0.81 ROCK2 (0.36) KDM4EMMP8MMP2PTPN11
Hydrochloric Acid SCHEMBL25327058 0.81 ROCK2 (0.36) KDM4EMMP8MMP2PTPN11
Hydrochloric Acid SCHEMBL16447043 0.78 KDM4E (0.38) KDM4EKMT2AADORA2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018648-A1 PHENOL DERIVATIVES FOR USE IN THE MODULATION OF BRM GENENTECH, INC. (US) 2023-02-16 WO disclosed
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
US-9416132-B2 Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed
US-4153702-A Basically alkylated dithiosalicyclic acid amides and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-05-08 US 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 (3 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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIK3CD 268/4885KDM4E 1257/4885POLB 1882/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIK3CD 561/4885KDM4E 954/4885POLB 3728/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIK3CD 537/4885KDM4E 1020/4885POLB 2922/4885

“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.