SCHEMBL2417864

SCHEMBL2417864

O=C(Nc1n[nH]c2sc(C(=O)NCc3cccc(F)c3)cc12)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
MAPK1 P28482 3/20 0.44
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP5 Q96HI0 1/20 0.42
SENP2 Q9HC62 1/20 0.42
SENP1 Q9P0U3 1/20 0.42
CSNK2A2 P19784 2/20 0.42
KDR P35968 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 2/20 0.42
PLK1 P53350 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL2412120 0.91 NPC1 (0.48) RAB9AMAPK1NPC1KDM4ENFKB1
SCHEMBL2418622 0.89 KDR (0.53) RAB9AMAPK1NPC1KDM4ENFKB1
SCHEMBL2420561 0.89 ABL1 (0.49) RAB9AMAPK1NPC1KDM4ESMN1; SMN2
SCHEMBL2410767 0.89 NPC1 (0.52) RAB9AMAPK1NPC1KDM4ESMN1; SMN2
SCHEMBL2415972 0.87 ROCK2 (0.45) MAPK1CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL2422290 0.86 ROCK2 (0.56) RAB9AMAPK1NPC1KDM4ESMN1; SMN2
SCHEMBL2418305 0.86 ADORA2A (0.43) RAB9AMAPK1ADORA2AADORA2BSENP1
SCHEMBL2419147 0.86 CDK2 (0.47) RAB9AMAPK1SENP1CSNK2A2KDR
SCHEMBL2415580 0.85 KDR (0.52) RAB9AMAPK1NPC1KDM4ESMN1; SMN2
SCHEMBL2415566 0.85 CSNK2A2 (0.48) RAB9ANPC1KDM4ENFKB1NFKB2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 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 (2 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 RAB9A 2089/4885MAPK1 138/4885ADORA2A 3859/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 RAB9A 2089/4885MAPK1 138/4885ADORA2A 3859/4885

“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.