SCHEMBL2913468

SCHEMBL2913468

CC(=O)Nc1cccc(C)c1-c1[nH]nc2c1CN(Cc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
BRS3 P32247 1/20 0.41
CCNE2 O96020 5/20 0.41
CCNE1 P24864 5/20 0.41
CDK2 P24941 5/20 0.41
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PARP14 Q460N5 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2922669 0.86 ALDH1A1 (0.41) ALDH1A1TSHRBRS3CCNE2CCNE1
SCHEMBL2918506 0.84 CCNE2 (0.41) ALDH1A1TSHRCCNE2CCNE1CDK2
SCHEMBL2921438 0.83 KMT2A (0.46) ALDH1A1TSHRBRS3SMN1; SMN2KMT2A
SCHEMBL2922884 0.83 KDM4E (0.40) ALDH1A1CCNE2CCNE1CDK2CDK4
SCHEMBL2917850 0.81 EP300 (0.43) ALDH1A1CCNE2CCNE1CDK2CDK4
SCHEMBL2918949 0.81 CCNE2 (0.43) ALDH1A1CCNE2CCNE1CDK2CDK4
SCHEMBL2920088 0.81 CDK2 (0.41) ALDH1A1CCNE2CCNE1CDK2CDK4
SCHEMBL2919097 0.80 CDK2 (0.41) ALDH1A1TSHRCCNE2CCNE1CDK2
SCHEMBL2919683 0.80 CCNE2 (0.41) ALDH1A1CCNE2CCNE1CDK2CDK4
SCHEMBL2917994 0.80 CCNE2 (0.44) ALDH1A1CCNE2CCNE1CDK2CDK4

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 ALDH1A1 4090/4885TSHR 4177/4885BRS3 2858/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ALDH1A1 3455/4885TSHR 4265/4885BRS3 3055/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885TSHR 4177/4885BRS3 2858/4885

“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.