Sugi Predict

Sugi Predict / Compounds / SCHEMBL802693

SCHEMBL802693

SCHEMBL802693

Cc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)nc(N2CCNCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ HTR2A P28223 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ ROCK1 Q13464 1/20 0.38
▸ IDH2 P48735 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ KHK P50053 2/20 0.37
▸ CTNNB1 P35222 2/20 0.36
▸ TCF7L2 Q9NQB0 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL12619931 0.89 CYP1A2 (0.46) CYP1A2HTR2APOLBKMT2AALDH1A1
SCHEMBL802720 0.85 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL802694 0.83 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL802375 0.79 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL13108012 0.76 POLB (0.41) HTR2APOLBKMT2AALDH1A1ROCK1
SCHEMBL801705 0.76 FADS1 (0.44) CYP1A2CYP3A4CYP2D6HTR2APOLB
SCHEMBL12620021 0.76 CYP1A2 (0.48) CYP1A2HTR2AALDH1A1IDH2
SCHEMBL801692 0.74 VCP (0.40) CYP1A2CYP3A4CYP2D6ALDH1A1EGFR
SCHEMBL802094 0.74 PIK3CA (0.45) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL801670 0.72 PIK3CA (0.43) CYP1A2CYP3A4CYP2D6TSHRCLK4

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 5 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-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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — 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 (2 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 1976/4885CYP2D6 3096/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 CYP1A2 3042/4885CYP3A4 2929/4885CYP2D6 4165/4885

“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.