Sugi Predict

Sugi Predict / Compounds / SCHEMBL786491

SCHEMBL786491

SCHEMBL786491

COCc1cc(Nc2cc(C)n[nH]2)nc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ ALDH1A1 P00352 2/20 0.57
▸ BLM P54132 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ LMNA P02545 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ABCG2 Q9UNQ0 6/20 0.44
▸ GAA P10253 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ABCB1 P08183 4/20 0.42
▸ ABCC1 P33527 4/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ GBA1 P04062 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL786645 0.87 ABCG2 (0.47) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL2206867 0.83 MAPT (0.43) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL786224 0.82 ABCG2 (0.64) MEN1KMT2ALMNAABCG2ABCB1
SCHEMBL805517 0.82 MEN1 (0.59) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL786647 0.80 LMNA (0.55) MEN1KMT2ALMNAABCG2ABCB1
SCHEMBL785622 0.77 MEN1 (0.56) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL786451 0.77 NPC1 (0.41) MEN1KMT2AABCG2ABCB1ABCC1
SCHEMBL786316 0.76 PDE4B (0.43) ABCG2ABCB1ABCC1NPC1RAB9A
SCHEMBL786524 0.75 ITK (0.66) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12844485 0.75 MAPT (0.62) MEN1KMT2AALDH1A1BLML3MBTL1

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 38 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
EP-1317448-B2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-05-04 — — EP disclosed
CN-1926132-B Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-12-29 — — CN disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — 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-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 (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 MEN1 2319/4885KMT2A 884/4885ALDH1A1 4461/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A MEN1 2949/4885KMT2A 1376/4885ALDH1A1 4625/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 MEN1 2882/4885KMT2A 1557/4885ALDH1A1 4256/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 2143/4885KMT2A 1125/4885ALDH1A1 4367/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MEN1 1413/4885KMT2A 1457/4885ALDH1A1 4768/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 2898/4885KMT2A 983/4885ALDH1A1 4245/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 3280/4885KMT2A 1145/4885ALDH1A1 4219/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP MEN1 4215/4885KMT2A 1895/4885ALDH1A1 4581/4885

“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.