SCHEMBL2916989

SCHEMBL2916989

O=C(Nc1ccccc1)NN1CCc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNK3 O14649 1/20 0.44
AURKA O14965 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
NTRK1 P04629 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL2924323 0.91 SIRT1 (0.42) NPC1RAB9AMEN1KMT2AAURKA
SCHEMBL2913968 0.88 NPC1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2920307 0.86 CCNA2 (0.44) NPC1RAB9AMEN1KMT2AAURKA
SCHEMBL2925059 0.83 AURKA (0.42) NPC1RAB9AAURKAMAPTLMNA
SCHEMBL2923314 0.83 PGR (0.42) NPC1RAB9AAURKATP53
SCHEMBL2922004 0.82 ALDH1A1 (0.52) MEN1KMT2AKCNK3AURKACCNA2
SCHEMBL2913508 0.82 AURKA (0.50) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL2923248 0.81 KMT2A (0.41) NPC1RAB9AMEN1KMT2AAURKA
SCHEMBL2921397 0.81 MEN1 (0.52) MEN1KMT2AAURKACCNA2CDK2
SCHEMBL2922880 0.80 SMN1; SMN2 (0.43) NPC1RAB9AMEN1KMT2ACCNA2

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 NPC1 2542/4885RAB9A 1223/4885MEN1 3952/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 NPC1 1048/4885RAB9A 1491/4885MEN1 4143/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 NPC1 2542/4885RAB9A 1223/4885MEN1 3952/4885

“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.