SCHEMBL2920890

SCHEMBL2920890

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
PKM P14618 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
FLT3 P36888 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
USP2 O75604 1/20 0.43
PDE4D Q08499 1/20 0.43
NAMPT P43490 1/20 0.43
GPR35 Q9HC97 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2922673 0.92 CCNA2 (0.49) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL2919089 0.88 POLB (0.47) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL2919486 0.87 CCNA2 (0.53) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL2914375 0.86 NAMPT (0.57) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL2917199 0.85 MEN1 (0.46) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL2915725 0.85 SMN1; SMN2 (0.49) KMT2AMEN1PKMALDH1A1RAB9A
SCHEMBL2917960 0.85 NAMPT (0.49) KMT2AMEN1PKMALDH1A1POLB
SCHEMBL2920944 0.85 ALPL (0.44) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2918209 0.85 BRD4 (0.42) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL2923389 0.84 GAA (0.41) KMT2AMEN1ALDH1A1POLBRAB9A

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 KMT2A 2789/4885MEN1 3952/4885PKM 369/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 KMT2A 3607/4885MEN1 4143/4885PKM 452/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 KMT2A 2789/4885MEN1 3952/4885PKM 369/4885

“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.