Sugi Predict

Sugi Predict / Compounds / SCHEMBL786646

SCHEMBL786646

SCHEMBL786646

COCCNC(=O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.51
▸ CYP1A2 P05177 4/20 0.51
▸ CYP3A4 P08684 4/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ APEX1 P27695 2/20 0.51
▸ CASP7 P55210 2/20 0.51
▸ CLK4 Q9HAZ1 2/20 0.51
▸ PDE5A O76074 2/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ ABCC1 P33527 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ GSK3A P49840 3/20 0.47
▸ GSK3B P49841 3/20 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
SCHEMBL785982 0.90 PDE5A (0.52) ALDH1A1PDE5AABCG2ABCC1KDM4E
SCHEMBL802574 0.90 MAPK1 (0.53) ALDH1A1PDE5AABCG2ABCC1KDM4E
SCHEMBL786514 0.86 MEN1 (0.55) ALDH1A1CYP1A2CYP3A4USP2PDE5A
SCHEMBL786810 0.85 ACP1 (0.53) ALDH1A1PDE5AABCG2ABCC1KDM4E
SCHEMBL786448 0.85 ABCG2 (0.61) ALDH1A1TP53PDE5AABCG2ABCC1
SCHEMBL786159 0.85 MEN1 (0.61) ALDH1A1PDE5AABCG2ABCC1KDM4E
SCHEMBL801973 0.84 GSK3A (0.51) ROCK2ALDH1A1CLK4PDE5AABCG2
SCHEMBL786707 0.83 EGFR (0.49) ALDH1A1CYP1A2CYP3A4ABCG2ABCC1
SCHEMBL786419 0.82 ABCG2 (0.58) ALDH1A1TP53PDE5AABCG2ABCC1
SCHEMBL802454 0.82 ROCK2 (0.52) ROCK2ALDH1A1CYP1A2CYP3A4ALOX15

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-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 ROCK2 101/4885ALDH1A1 4461/4885CYP1A2 1868/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 ROCK2 294/4885ALDH1A1 4256/4885CYP1A2 2368/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ROCK2 65/4885ALDH1A1 4367/4885CYP1A2 1526/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ROCK2 52/4885ALDH1A1 4768/4885CYP1A2 3042/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ROCK2 111/4885ALDH1A1 4245/4885CYP1A2 1765/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ROCK2 78/4885ALDH1A1 4219/4885CYP1A2 1780/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP ROCK2 67/4885ALDH1A1 4581/4885CYP1A2 997/4885

“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.