Sugi Predict

Sugi Predict / Compounds / SCHEMBL785407

SCHEMBL785407

SCHEMBL785407

COc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ USP1 O94782 6/20 0.46
▸ WDR48 Q8TAF3 6/20 0.46
▸ CYP1A2 P05177 7/20 0.45
▸ CYP2C19 P33261 7/20 0.45
▸ CYP3A4 P08684 6/20 0.45
▸ USP2 O75604 2/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ CYP2D6 P10635 6/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ TSHR P16473 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL786393 0.93 AURKA (0.46) AURKAAURKBUSP1WDR48CYP1A2
SCHEMBL786461 0.88 USP1 (0.46) AURKAAURKBUSP1WDR48CYP1A2
SCHEMBL802138 0.86 USP1 (0.44) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL786194 0.85 USP1 (0.46) AURKAAURKBUSP1WDR48CYP1A2
SCHEMBL805537 0.85 USP1 (0.45) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL802459 0.83 AURKA (0.48) AURKAAURKBUSP1WDR48CYP1A2
SCHEMBL786421 0.81 USP1 (0.64) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL1084131 0.80 USP1 (0.48) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL786785 0.79 CYP1A2 (0.48) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL801521 0.79 USP1 (0.45) USP1WDR48CYP1A2CYP2C19CYP3A4

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 44 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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
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-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-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-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-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — 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-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-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 (6 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 AURKA 2/4885AURKB 7/4885USP1 2820/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 5/4885USP1 3224/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 AURKA 8/4885AURKB 19/4885USP1 3070/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 7/4885USP1 3101/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 7/4885USP1 3407/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP AURKA 255/4885AURKB 493/4885USP1 3096/4885

“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.