Sugi Predict

Sugi Predict / Compounds / SCHEMBL785619

SCHEMBL785619

SCHEMBL785619

Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ncccc34)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2C Q8TBX8 1/20 0.58
▸ USP1 O94782 12/20 0.46
▸ WDR48 Q8TAF3 12/20 0.46
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2D6 P10635 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL12619087 0.90 PIP4K2C (0.46) PIP4K2CUSP1WDR48CYP1A2CYP2D6
SCHEMBL785757 0.87 ABCG2 (0.42) PIP4K2CUSP1WDR48CYP1A2CYP2D6
SCHEMBL786104 0.86 USP1 (0.62) PIP4K2CUSP1WDR48CYP1A2CYP2D6
SCHEMBL13107843 0.85 PIP4K2C (0.42) PIP4K2CMAPTABCG2
SCHEMBL785481 0.84 PIP4K2C (0.61) PIP4K2CUSP1WDR48CYP1A2CYP2D6
SCHEMBL786155 0.83 USP1 (0.45) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL805553 0.82 USP1 (0.46) PIP4K2CUSP1WDR48CYP1A2CYP2D6
SCHEMBL802183 0.82 USP1 (0.43) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL10267538 0.80 USP1 (0.43) PIP4K2CUSP1WDR48CYP1A2CYP2D6
SCHEMBL786194 0.80 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 45 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-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-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 PIP4K2C 263/4885USP1 2820/4885WDR48 1396/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PIP4K2C 237/4885USP1 3224/4885WDR48 1586/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 PIP4K2C 996/4885USP1 3070/4885WDR48 1491/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PIP4K2C 264/4885USP1 3101/4885WDR48 828/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PIP4K2C 294/4885USP1 3407/4885WDR48 1694/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP PIP4K2C 203/4885USP1 3096/4885WDR48 1874/4885

“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.