Sugi Predict

Sugi Predict / Compounds / SCHEMBL801847

SCHEMBL801847

SCHEMBL801847

CC(=O)N1CCCCC1c1cc(Nc2n[nH]c(C)n2)nc(-c2ccccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 12/20 0.38
▸ HCRTR2 O43614 12/20 0.38
▸ TP53 P04637 1/20 0.37
▸ AXL P30530 3/20 0.37
▸ MAP3K12 Q12852 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CPT1A P50416 1/20 0.35

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
SCHEMBL801817 0.86 SMN1; SMN2 (0.36) TP53AXLNPC1ALDH1A1RAB9A
SCHEMBL802513 0.84 CCNC (0.39) TP53ALDH1A1RAB9ACPT1A
SCHEMBL801845 0.72 MAP3K12 (0.48) MAP3K12
SCHEMBL802439 0.69 CYP1A2 (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL802440 0.67 ALDH1A1 (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL802432 0.66 CYP1A2 (0.35) ALDH1A1
SCHEMBL802425 0.64 HCRTR2 (0.37) HCRTR2MAP3K12ALDH1A1
SCHEMBL802492 0.64 MAP3K12 (0.43) MAP3K12ALDH1A1
SCHEMBL801816 0.64 TRPC3 (0.46) TP53MAP3K12NPC1ALDH1A1RAB9A
SCHEMBL802772 0.63 GSK3A (0.48) TP53NPC1ALDH1A1RAB9ASMN1; SMN2

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 8 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-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 HCRTR1 3018/4885HCRTR2 1503/4885TP53 452/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 HCRTR1 2284/4885HCRTR2 2178/4885TP53 604/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A HCRTR1 3018/4885HCRTR2 1503/4885TP53 452/4885

“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.