Sugi Predict

Sugi Predict / Compounds / SCHEMBL786218

SCHEMBL786218

SCHEMBL786218

Fc1ccc(C(F)(F)F)c(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 15/20 0.55
▸ WDR48 Q8TAF3 15/20 0.55
▸ CYP1A2 P05177 5/20 0.47
▸ CYP2D6 P10635 5/20 0.47
▸ CYP2C19 P33261 5/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ USP2 O75604 2/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL786367 0.92 USP1 (0.55) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL786104 0.92 USP1 (0.62) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL786138 0.87 USP1 (0.52) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL13963076 0.84 USP1 (0.56) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL13107999 0.84 MAPT (0.48) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL802515 0.83 MAPT (0.49) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL13107838 0.82 MAPT (0.45) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL785759 0.82 MEN1 (0.57) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL801542 0.82 CYP1A2 (0.60) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL786143 0.82 USP1 (0.46) USP1WDR48CYP1A2CYP2D6CYP2C19

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 25 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
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
EP-1318814-B1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-05-30 — — EP disclosed
US-20060258658-A1 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-16 — — US disclosed
US-7115739-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-03 — — US disclosed
EP-1698627-A1 Pyrazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2006-09-06 — — EP disclosed
US-20040116454-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-06-17 — — US disclosed
US-20040097501-A1 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-05-20 — — US disclosed
US-6696452-B2 GLYCOGEN SYNTHASE KINASE-3 AND AURORA-2 A SERINE/THREONINE PROTEIN KINASE INHIBITORS; ANTIDIABETIC AND ANTICANCER AGENTS AND ALZHEIMER'S DISEASE TREATMENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-02-24 — — US disclosed
US-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 — — 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

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 USP1 2820/4885WDR48 1396/4885CYP1A2 1868/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A USP1 3754/4885WDR48 1820/4885CYP1A2 1818/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B USP1 3224/4885WDR48 1586/4885CYP1A2 1526/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 USP1 3070/4885WDR48 1491/4885CYP1A2 3042/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B USP1 3407/4885WDR48 1694/4885CYP1A2 1780/4885
US-20060258658-A1 Triazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, CDK19 USP1 3070/4885WDR48 1491/4885CYP1A2 3042/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP USP1 3096/4885WDR48 1874/4885CYP1A2 997/4885
US-20040097501-A1 Triazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, AURKC USP1 2798/4885WDR48 1353/4885CYP1A2 2933/4885

“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.