SCHEMBL4339961

SCHEMBL4339961

CN1CCC(C(=O)Nc2cc(Cl)ccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PIK3C3 Q8NEB9 2/20 0.56
GSK3B P49841 8/20 0.53
DYRK1A Q13627 7/20 0.53
WNT1 P04628 3/20 0.52
ABL1 P00519 2/20 0.52
PIP5K1C O60331 1/20 0.52
PIK3CA P42336 1/20 0.52
ACVRL1 P37023 2/20 0.51
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51
HTR1F P30939 1/20 0.51
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
CDK9 P50750 1/20 0.50
JAK3 P52333 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
SCHEMBL17539612 0.88 ACVRL1 (0.62) ALDH1A1LMNAPOLBSMN1; SMN2PIK3C3
SCHEMBL29366775 0.88 ACVRL1 (0.62) ALDH1A1LMNAPOLBSMN1; SMN2PIK3C3
SCHEMBL16914215 0.85 TYK2 (0.62) ALDH1A1LMNAPOLBSMN1; SMN2GSK3B
SCHEMBL20053909 0.84 PIK3C3 (0.57) ALDH1A1LMNASMN1; SMN2PIK3C3GSK3B
SCHEMBL29676896 0.83 PIK3C3 (0.56) PIK3C3GSK3BDYRK1AWNT1ABL1
SCHEMBL18170428 0.83 PIK3C3 (0.56) PIK3C3GSK3BDYRK1AWNT1ABL1
SCHEMBL17339950 0.78 RAB9A (0.66) ALDH1A1LMNAGSK3BDYRK1APIP5K1C
SCHEMBL31472534 0.78 GSK3B (0.53) PIK3C3GSK3BDYRK1AWNT1ABL1
SCHEMBL25643978 0.78 GSK3B (0.53) PIK3C3GSK3BDYRK1AWNT1ABL1
SCHEMBL14540841 0.77 BRAF (0.52) PIK3C3TYK2

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
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
CN-1889951-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-01-03 CN disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 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 (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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF ALDH1A1 1397/4885LMNA 3081/4885POLB 1387/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF ALDH1A1 1397/4885LMNA 3081/4885POLB 1387/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF ALDH1A1 1397/4885LMNA 3081/4885POLB 1387/4885

“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.