SCHEMBL2422239

SCHEMBL2422239

COc1cccc(C(=O)Nc2n[nH]c3sc(C(=O)Nc4ccccc4F)cc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 5/20 0.51
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PARP14 Q460N5 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
DHODH Q02127 1/20 0.43
GFER P55789 1/20 0.43
ABCB1 P08183 1/20 0.43
CDC7 O00311 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 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
SCHEMBL2416483 0.90 MEN1 (0.53) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2419003 0.89 MEN1 (0.52) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2421082 0.88 RAB9A (0.51) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2417146 0.88 MEN1 (0.50) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2421378 0.86 RAB9A (0.49) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2413051 0.86 RXFP1 (0.57) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2417368 0.85 KDR (0.51) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4632762 0.85 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2417220 0.84 MAPT (0.49) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2418275 0.84 RXFP1 (0.52) RAB9ASMN1; SMN2MEN1KMT2ANPC1

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 11 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
EP-1530573-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-05-18 EP disclosed
WO-2004013146-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A (IT) 2004-02-12 WO 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 2089/4885SMN1; SMN2 4291/4885MEN1 2694/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 RAB9A 2089/4885SMN1; SMN2 4291/4885MEN1 2694/4885

“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.