SCHEMBL2917786

SCHEMBL2917786

NC(=O)N1Cc2n[nH]c(NC(=O)c3cccs3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.41
HDAC1 Q13547 1/20 0.41
AKT1 P31749 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK10 P53779 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
GFER P55789 1/20 0.40
TP53 P04637 3/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL2915446 0.89 GFER (0.44) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL2924937 0.85 KMT2A (0.47) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2920501 0.85 NPC1 (0.44) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL2924006 0.85 ALDH1A1 (0.42) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL2922766 0.84 KMT2A (0.43) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL2920608 0.83 RAB9A (0.46) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL2915679 0.81 HPGD (0.42) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2918888 0.81 CCNA2 (0.45) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL2921759 0.81 CCNA2 (0.48) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL2922538 0.81 ALDH1A1 (0.49) KMT2ANPC1RAB9AMEN1TDP1

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 2789/4885NPC1 2542/4885RAB9A 1223/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 KMT2A 3607/4885NPC1 1048/4885RAB9A 1491/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 KMT2A 2789/4885NPC1 2542/4885RAB9A 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.