SCHEMBL3087413

SCHEMBL3087413

CN(C)C(=O)Nc1snc(OC/C=C/c2ccccc2)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 1/20 0.38
ACVR2A P27037 1/20 0.37
TGFBR2 P37173 1/20 0.37
POLB P06746 2/20 0.36
RORC P51449 1/20 0.36
MEN1 O00255 2/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL3087416 1.00 KMT2A (0.39) KMT2ANPC1RAB9AACVR2ATGFBR2
SCHEMBL3081583 0.84 ACVR2A (0.35) ACVR2ATGFBR2
SCHEMBL3079684 0.83 ACVR2A (0.35) KMT2AACVR2ATGFBR2
SCHEMBL3078380 0.82 ACVR2A (0.50) KMT2ANPC1RAB9AACVR2ATGFBR2
SCHEMBL3087704 0.80 ACVR2A (0.36) KMT2AACVR2ATGFBR2
SCHEMBL3073485 0.80 ACVR2A (0.41) KMT2ANPC1RAB9AACVR2ATGFBR2
SCHEMBL3072105 0.80 ACVR2A (0.41) KMT2ANPC1RAB9AACVR2ATGFBR2
SCHEMBL3084172 0.79 ACVR2A (0.35) ACVR2ATGFBR2
SCHEMBL3083668 0.78 ACVR2A (0.41) ACVR2ATGFBR2
SCHEMBL3081967 0.78 NTRK1 (0.39) ACVR2ATGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790902-B2 Isothiazole derivatives useful as anticancer agents PFIZER, INC. (US) 2010-09-07 US disclosed
US-20080300249-A1 tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents PFIZER, INC. (US) 2008-12-04 US disclosed
US-7405218-B2 Isothiazole derivatives useful as anticancer agents PFIZER, INC. (US) 2008-07-29 US disclosed
EP-1084114-B1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-08 EP disclosed
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2003-08-07 US disclosed
US-6548526-B2 Isothiazole derivatives useful as anticancer agents PFIZER INC 2003-04-15 US disclosed
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents PFIZER, INC. 2001-09-06 US disclosed
US-6235764-B1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2001-05-22 US disclosed
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 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 (3 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-20010020034-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 KMT2A 2096/4885NPC1 227/4885RAB9A 2491/4885
US-20080300249-A1 tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents CDKN1A, TK1, CDK1 KMT2A 1265/4885NPC1 3415/4885RAB9A 3104/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 KMT2A 2096/4885NPC1 227/4885RAB9A 2491/4885

“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.