SCHEMBL2415776

SCHEMBL2415776

COc1ccc(C(=O)Nc2n[nH]c3sc(C(=O)Nc4ccc(F)cc4)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.49
NPC1 O15118 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TP53 P04637 3/20 0.49
ALOX15 P16050 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
AURKA O14965 1/20 0.46
GPR35 Q9HC97 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL2421070 1.00 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2417547 0.95 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2410908 0.92 PTPN11 (0.50) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2412719 0.91 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2421234 0.91 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2411577 0.90 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2417391 0.90 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2419056 0.90 TP53 (0.52) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2421114 0.90 KCNK9 (0.53) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2418809 0.90 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53ALOX15

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 2089/4885NPC1 3758/4885SMN1; SMN2 4291/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 RAB9A 2089/4885NPC1 3758/4885SMN1; SMN2 4291/4885

“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.