Sugi Predict

Sugi Predict / Compounds / SCHEMBL786512

SCHEMBL786512

SCHEMBL786512

Cc1cc(Nc2nc(-c3cccc(C#N)c3)nc3ccccc23)[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 9/20 0.67
▸ MEN1 O00255 7/20 0.67
▸ KMT2A Q03164 7/20 0.67
▸ ALDH1A1 P00352 5/20 0.67
▸ LMNA P02545 5/20 0.67
▸ HSD17B10 Q99714 5/20 0.67
▸ TSHR P16473 4/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ CYP3A4 P08684 8/20 0.65
▸ CLK4 Q9HAZ1 7/20 0.65
▸ CYP2C19 P33261 4/20 0.65
▸ MAPK1 P28482 4/20 0.65
▸ USP2 O75604 6/20 0.62
▸ CYP2C9 P11712 4/20 0.62
▸ HPGD P15428 1/20 0.62
▸ CASP1 P29466 1/20 0.62
▸ SRC P12931 1/20 0.61
▸ CCNA2 P20248 1/20 0.61

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
SCHEMBL786319 0.90 ABCG2 (0.61) CYP1A2MEN1KMT2AALDH1A1LMNA
SCHEMBL786656 0.89 ABCG2 (0.61) CYP1A2MEN1KMT2AALDH1A1LMNA
SCHEMBL786402 0.87 GSK3B (0.65) MEN1KMT2ALMNATP53MAPT
SCHEMBL786396 0.86 KMT2A (0.61) CYP1A2MEN1KMT2AALDH1A1LMNA
SCHEMBL786318 0.84 GSK3B (0.62) MEN1KMT2ALMNATP53MAPT
SCHEMBL786242 0.84 ABCG2 (0.59) CYP1A2MEN1KMT2ALMNAKDM4E
SCHEMBL786037 0.82 ABCG2 (0.67) CYP1A2MEN1KMT2AALDH1A1LMNA
SCHEMBL786441 0.82 ABCG2 (0.55) CYP1A2MEN1KMT2AALDH1A1LMNA
SCHEMBL786158 0.82 GSK3B (0.52) MEN1KMT2ALMNATP53MAPT
SCHEMBL786285 0.81 AURKA (0.69) MEN1KMT2ALMNATP53MAPT

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 49 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-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 CYP1A2 1868/4885MEN1 2319/4885KMT2A 884/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 CYP1A2 2368/4885MEN1 2882/4885KMT2A 1557/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CYP1A2 1526/4885MEN1 2143/4885KMT2A 1125/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 CYP1A2 3042/4885MEN1 1413/4885KMT2A 1457/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CYP1A2 1765/4885MEN1 2898/4885KMT2A 983/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CYP1A2 1780/4885MEN1 3280/4885KMT2A 1145/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP CYP1A2 997/4885MEN1 4215/4885KMT2A 1895/4885

“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.