Sugi Predict

Sugi Predict / Compounds / SCHEMBL805609

SCHEMBL805609

SCHEMBL805609

CS(=O)(=O)NCCc1cc(Nc2n[nH]c(C3CC3)n2)nc(-c2ccccc2Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRAF P15056 6/20 0.33
▸ IGF1R P08069 2/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ GBA1 P04062 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL802795 0.88 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2BRAF
SCHEMBL12620332 0.82 ALDH1A1 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2BRAF
SCHEMBL12653472 0.78 FADS1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL801817 0.67 SMN1; SMN2 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL802834 0.65 ACP1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2IGF1R
SCHEMBL801496 0.65 FADS1 (0.41) ALDH1A1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL801829 0.64 ADORA3 (0.39) ALDH1A1IGF1RCYP1A2CYP3A4CYP2C19
SCHEMBL802234 0.64 CYP1A2 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL802439 0.64 CYP1A2 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2IGF1R
SCHEMBL802458 0.64 CYP1A2 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6

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 9 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-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
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-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 ALDH1A1 4625/4885NPC1 3611/4885RAB9A 3188/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ALDH1A1 4768/4885NPC1 2844/4885RAB9A 638/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A ALDH1A1 4625/4885NPC1 3611/4885RAB9A 3188/4885

“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.