SCHEMBL4818944

SCHEMBL4818944

COc1ccc(Nc2ccnc(Cl)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
RAB9A P51151 5/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
NPC1 O15118 3/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPK1 P28482 2/20 0.69
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 3/20 0.54
HTT P42858 1/20 0.54
POLB P06746 1/20 0.52
KCNH2 Q12809 1/20 0.51
SCN9A Q15858 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
IGF1R P08069 1/20 0.51
KDR P35968 3/20 0.50
SYK P43405 1/20 0.50

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
SCHEMBL6979267 0.86 IGF1R (0.54) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL655364 0.83 ROCK1 (0.51) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6978657 0.82 EGFR (0.72) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL5394104 0.81 EPHB4 (0.45) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL15522350 0.81 SCN9A (0.59) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL270349 0.81 RAB9A (0.69) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6977133 0.80 MAPT (0.57) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL16412165 0.80 MAPT (0.46) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL26618971 0.80 MEN1 (0.58) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL17915952 0.79 MAPT (0.82) MAPTRAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US disclosed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US disclosed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US disclosed
EP-1737830-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-03 EP disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO disclosed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 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 (2 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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 MAPT 843/4885RAB9A 2976/4885MEN1 3574/4885
US-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 MAPT 1512/4885RAB9A 2928/4885MEN1 120/4885

“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.