Sugi Predict

Sugi Predict / Compounds / SCHEMBL802779

SCHEMBL802779

SCHEMBL802779

Cc1nc(Nc2cc(-c3ccccn3)nc(-c3ccccc3C(F)(F)F)n2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.44
▸ CYP3A4 P08684 7/20 0.44
▸ CYP2C19 P33261 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SYK P43405 2/20 0.42
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ GPR39 O43194 3/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL801763 0.86 GSK3A (0.43) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL14164025 0.86 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL802438 0.86 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL802778 0.85 LMNA (0.45) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL802440 0.84 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL802436 0.81 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL786426 0.79 PIP4K2C (0.44) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL802492 0.79 MAP3K12 (0.43) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL802432 0.76 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL801811 0.76 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6

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 18 patents. 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-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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US 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-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-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-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A CYP1A2 1818/4885CYP3A4 1976/4885CYP2C19 2691/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 CYP1A2 3042/4885CYP3A4 2929/4885CYP2C19 1702/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A CYP1A2 1818/4885CYP3A4 1976/4885CYP2C19 2691/4885

“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.