SCHEMBL2919841

SCHEMBL2919841

O=C(Nc1[nH]nc2c1CN(Cc1ccccc1)C2)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
BCHE P06276 1/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
HDAC4 P56524 1/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 1/20 0.45
ATM Q13315 1/20 0.44
NTRK1 P04629 2/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
LMNA P02545 2/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
POLB P06746 1/20 0.43
ADORA2A P29274 2/20 0.43

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
SCHEMBL2922382 0.93 NTRK1 (0.49) SMN1; SMN2BCHERAB9ANPC1MAPT
SCHEMBL2922877 0.91 HDAC1 (0.49) RAB9ANPC1MAPTHDAC4KCNH2
SCHEMBL2920916 0.91 NPC1 (0.47) SMN1; SMN2BCHERAB9ANPC1MAPT
SCHEMBL2923428 0.90 BCHE (0.50) SMN1; SMN2BCHERAB9AMAPTNOD1
SCHEMBL2920076 0.90 MEN1 (0.46) SMN1; SMN2BCHERAB9AMAPTHDAC4
SCHEMBL2917760 0.90 NTRK1 (0.48) RAB9ANPC1TNFNOD2NOD1
SCHEMBL2920851 0.89 NTRK1 (0.44) SMN1; SMN2BCHERAB9AMAPTHDAC4
SCHEMBL2921853 0.89 NTRK1 (0.49) SMN1; SMN2RAB9ANPC1MAPTNTRK1
SCHEMBL2920712 0.88 KMT2A (0.52) SMN1; SMN2RAB9AMAPTNOD1NTRK1
SCHEMBL2924395 0.88 MAPT (0.55) SMN1; SMN2BCHEMAPTTNFNOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 SMN1; SMN2 3514/4885BCHE 4120/4885RAB9A 1223/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 SMN1; SMN2 2568/4885BCHE 4221/4885RAB9A 1491/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 SMN1; SMN2 3514/4885BCHE 4120/4885RAB9A 1223/4885

“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.