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SCHEMBL5038310

SCHEMBL5038310

COC(=O)c1cc(C(=NN)Nc2cccc(F)c2F)cn1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ PLA2G7 Q13093 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SCN9A Q15858 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32

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
SCHEMBL14278707 1.00 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AHTTPOLBNPC1
SCHEMBL5043490 0.89 PLA2G7 (0.37) SMN1; SMN2RAB9AHTTPOLBNPC1
SCHEMBL5033952 0.88 RAB9A (0.46) SMN1; SMN2RAB9AHTTPOLBNPC1
SCHEMBL5041304 0.86 RAB9A (0.38) SMN1; SMN2RAB9AHTTPOLBNPC1
SCHEMBL5042461 0.83 CYP1A2 (0.47) SMN1; SMN2RAB9APOLBNPC1CYP1A2
SCHEMBL14278748 0.78 NOD2 (0.42) SMN1; SMN2RAB9ANPC1CYP1A2CYP2C19
SCHEMBL5033957 0.71 ALDH1A1 (0.38) SMN1; SMN2RAB9APOLBNPC1CYP1A2
SCHEMBL5041467 0.70 CYP1A2 (0.38) SMN1; SMN2POLBCYP1A2CYP2C19PKM
SCHEMBL14278788 0.67 KDM4E (0.33) SMN1; SMN2HTTCYP1A2CYP2C19KDM4E
SCHEMBL5043357 0.67 ALDH1A1 (0.36) SMN1; SMN2RAB9APOLBNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660487-B1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET VERTEX PHARMA (US) 2008-03-19 — — EP disclosed
US-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 — — US disclosed
US-20060173055-A1 (4-(4-(2,3-difluorophenyl)-4H-1,2,4-triazol-3-yl)-1H-pyrrol-2-yl)(2H-pyrrol-1(5H)-yl)methanone; anticarcinogenic, antiproliferative and antimetastasis agent; inhibitors of c-Met protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 — — US disclosed
US-20050101650-A1 Pyrrole compositions useful as inhibitors of c-Met VERTEX PHARMACEUTICALS INCORPORATED 2005-05-12 — — 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-20050101650-A1 Pyrrole compositions useful as inhibitors of c-Met MET, PRKCH, DMPK SMN1; SMN2 2391/4885RAB9A 2600/4885HTT 1414/4885
US-20060173055-A1 (4-(4-(2,3-difluorophenyl)-4H-1,2,4-triazol-3-yl)-1H-pyrrol-2-yl)(2H-pyrrol-1(5H)-yl)methanone; anticarcinogenic, antiproliferative and antimetastasis agent; inhibitors of c-Met protein kinase MET, DMPK, CDK4 SMN1; SMN2 3423/4885RAB9A 3397/4885HTT 3031/4885

“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.