Sugi Predict

Sugi Predict / Compounds / SCHEMBL785470

SCHEMBL785470

SCHEMBL785470

FC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4ccccc34)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.53
▸ CYP1A2 P05177 6/20 0.50
▸ CYP3A4 P08684 5/20 0.50
▸ CYP2C19 P33261 5/20 0.50
▸ CLK4 Q9HAZ1 5/20 0.50
▸ CYP2D6 P10635 4/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ USP2 O75604 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GBA1 P04062 1/20 0.48
▸ ABCG2 Q9UNQ0 3/20 0.48
▸ USP1 O94782 5/20 0.48
▸ WDR48 Q8TAF3 5/20 0.48
▸ TP53 P04637 2/20 0.47

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
SCHEMBL786427 0.89 USP1 (0.61) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL5259197 0.89 MEN1 (0.53) FADS1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL786490 0.88 CYP1A2 (0.54) FADS1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL786005 0.85 CYP1A2 (0.60) FADS1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL801868 0.85 CYP1A2 (0.55) FADS1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL785772 0.81 USP1 (0.61) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL786256 0.80 USP1 (0.64) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL786143 0.79 USP1 (0.46) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL786042 0.78 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL786391 0.78 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19CLK4CYP2D6

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 46 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-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-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — 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-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 (7 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 FADS1 3865/4885CYP1A2 1868/4885CYP3A4 1946/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 FADS1 3670/4885CYP1A2 2368/4885CYP3A4 1987/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B FADS1 4184/4885CYP1A2 1526/4885CYP3A4 1790/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 FADS1 3442/4885CYP1A2 3042/4885CYP3A4 2929/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B FADS1 3461/4885CYP1A2 1765/4885CYP3A4 1663/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B FADS1 1278/4885CYP1A2 1780/4885CYP3A4 1614/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP FADS1 2702/4885CYP1A2 997/4885CYP3A4 1312/4885

“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.

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