SCHEMBL2917898

SCHEMBL2917898

COc1ccc(C(=O)Nc2[nH]nc3c2CN(CCc2ccccc2)C3)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.50
ABCB1 P08183 5/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RET P07949 2/20 0.45
KDR P35968 2/20 0.45
EBP Q15125 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MAPK1 P28482 2/20 0.44
NAMPT P43490 1/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DCLK1 O15075 1/20 0.43
MAPK13 O15264 1/20 0.43
PDPK1 O15530 1/20 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
SCHEMBL2921593 0.91 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2ARET
SCHEMBL2922503 0.88 MAPT (0.46) ABCG2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL2918899 0.87 SMN1; SMN2 (0.49) ABCB1NPC1RAB9AMEN1KMT2A
SCHEMBL2918125 0.87 KCNH2 (0.49) ABCG2ABCB1MEN1KMT2ACDC7
SCHEMBL2915148 0.86 TAAR1 (0.47) ABCG2ABCB1MEN1KMT2ASIGMAR1
SCHEMBL2924018 0.86 POLB (0.52) ABCG2ABCB1NPC1MEN1KMT2A
SCHEMBL2918017 0.86 ALDH1A1 (0.44) ABCG2ABCB1MEN1KMT2AMAPK1
SCHEMBL2916225 0.85 KCNH2 (0.44) ABCG2ABCB1NPC1RAB9AMEN1
SCHEMBL2925498 0.85 DRD4 (0.52) ABCG2ABCB1NPC1RAB9AKMT2A
SCHEMBL2918528 0.85 NTRK1 (0.40) ABCG2ABCB1NPC1RAB9AMEN1

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 ABCG2 1976/4885ABCB1 983/4885NPC1 2542/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ABCG2 2038/4885ABCB1 482/4885NPC1 1048/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ABCG2 1976/4885ABCB1 983/4885NPC1 2542/4885

“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.