SCHEMBL2417873

SCHEMBL2417873

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.59
KCNK9 Q9NPC2 3/20 0.59
KDR P35968 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TP53 P04637 4/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
POLB P06746 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
SCHEMBL2413051 0.94 RXFP1 (0.57) KCNK3KCNK9KDRMEN1KMT2A
SCHEMBL2414484 0.90 RAB9A (0.58) KCNK3KCNK9KDRMEN1KMT2A
SCHEMBL2417368 0.90 KDR (0.51) KCNK3KCNK9KDRMEN1KMT2A
SCHEMBL2417393 0.90 KCNK3 (0.53) KCNK3KCNK9KDRMEN1KMT2A
SCHEMBL2411453 0.88 KDR (0.51) KCNK3KCNK9KDRMEN1KMT2A
SCHEMBL2418275 0.88 RXFP1 (0.52) KCNK3KCNK9KDRMEN1KMT2A
SCHEMBL2412480 0.88 NPC1 (0.64) KCNK3KCNK9KDRSMN1; SMN2NPC1
SCHEMBL2419112 0.87 KCNK3 (0.57) KCNK3KCNK9MEN1KMT2ANPC1
SCHEMBL2416480 0.87 KCNK3 (0.57) KCNK3KCNK9MEN1KMT2ASMN1; SMN2
SCHEMBL2416219 0.86 KCNK3 (0.53) KCNK3KCNK9MEN1KMT2ASMN1; 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 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 KCNK3 571/4885KCNK9 817/4885KDR 1181/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 KCNK3 571/4885KCNK9 817/4885KDR 1181/4885

“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.