SCHEMBL2414484

SCHEMBL2414484

COc1cccc(C(=O)Nc2n[nH]c3sc(C(=O)Nc4cccc(Cl)c4)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
MAPT P10636 5/20 0.52
TP53 P04637 3/20 0.52
KDR P35968 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
GAA P10253 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TSHR P16473 1/20 0.48
FADS1 O60427 1/20 0.48
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL2412480 0.96 NPC1 (0.64) RAB9ANPC1MAPTTP53KDR
SCHEMBL2413051 0.93 RXFP1 (0.57) RAB9ANPC1TP53KDRSMN1; SMN2
SCHEMBL2421337 0.91 JAK2 (0.52) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL2417873 0.90 KCNK3 (0.59) RAB9ANPC1TP53KDRSMN1; SMN2
SCHEMBL2417368 0.89 KDR (0.51) RAB9ANPC1TP53KDRSMN1; SMN2
SCHEMBL2411453 0.88 KDR (0.51) RAB9ANPC1TP53KDRSMN1; SMN2
SCHEMBL2418275 0.87 RXFP1 (0.52) RAB9ANPC1TP53KDRSMN1; SMN2
SCHEMBL2415951 0.87 SMN1; SMN2 (0.51) RAB9ANPC1MAPTKDRSMN1; SMN2
SCHEMBL2419112 0.86 KCNK3 (0.57) RAB9ANPC1MAPTTP53ALDH1A1
SCHEMBL2421407 0.86 KCNK3 (0.46) RAB9ANPC1MAPTTP53SMN1; SMN2

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 3758/4885MAPT 2293/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 RAB9A 2089/4885NPC1 3758/4885MAPT 2293/4885

“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.