Sugi Predict

Sugi Predict / Compounds / SCHEMBL786092

SCHEMBL786092

SCHEMBL786092

FC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4)nc4c3CCCC4)c2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.49
▸ PDE4B Q07343 2/20 0.47
▸ FADS1 O60427 1/20 0.47
▸ TRPV1 Q8NER1 5/20 0.45
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ DHODH Q02127 1/20 0.41
▸ TRPA1 O75762 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MAP2K4 P45985 2/20 0.40
▸ MAPKAPK3 Q16644 2/20 0.40
▸ MAPK6 Q16659 2/20 0.40
▸ VCP P55072 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ EGFR P00533 1/20 0.38

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
SCHEMBL786509 0.88 USP1 (0.45) IGF1RFADS1TRPV1DHODHTRPA1
SCHEMBL5255808 0.87 IGF1R (0.52) IGF1RPDE4BFADS1VCPEGFR
SCHEMBL785653 0.78 USP1 (0.46) IGF1RFADS1TRPA1EGFR
SCHEMBL785480 0.77 USP1 (0.45) IGF1RFADS1TRPA1EGFR
SCHEMBL801427 0.77 FADS1 (0.39) IGF1RFADS1TRPV1TRPA1VCP
SCHEMBL786128 0.77 USP1 (0.45) IGF1RFADS1TRPA1EGFR
SCHEMBL802539 0.76 TRPA1 (0.52) IGF1RPDE4BFADS1ABCG2TRPA1
SCHEMBL786288 0.76 USP1 (0.43) IGF1RFADS1TRPA1EGFR
SCHEMBL786140 0.76 IGF1R (0.51) IGF1RPDE4BVCPEGFR
SCHEMBL786736 0.76 USP1 (0.44) VCP

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
CN-1926132-B Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-12-29 — — CN disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
CN-100355750-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2007-12-19 — — CN disclosed
US-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 — — US disclosed
US-6638926-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-10-28 — — US disclosed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 — — US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 — — US disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 — — US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — 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 (8 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A IGF1R 520/4885PDE4B 3555/4885FADS1 3865/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A IGF1R 540/4885PDE4B 3723/4885FADS1 1449/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 IGF1R 346/4885PDE4B 1895/4885FADS1 3670/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 477/4885PDE4B 2516/4885FADS1 4184/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 IGF1R 293/4885PDE4B 3468/4885FADS1 3442/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 400/4885PDE4B 3687/4885FADS1 3461/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 834/4885PDE4B 3656/4885FADS1 1278/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP IGF1R 617/4885PDE4B 1827/4885FADS1 2702/4885

“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.