SCHEMBL10195007

SCHEMBL10195007

Cc1ccc(C(=O)N(C)CCc2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.63
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MLYCD O95822 2/20 0.51
▸ ESRRG P62508 1/20 0.51
▸ NAMPT P43490 3/20 0.50
▸ CDK4 P11802 3/20 0.49
▸ CCND1 P24385 3/20 0.49
▸ MCHR1 Q99705 2/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CDK2 P24941 2/20 0.47
▸ GRM1 Q13255 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ SLC2A1 P11166 1/20 0.44

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
SCHEMBL13211819 0.84 MMP13 (0.84) MMP13NPC1RAB9ASMN1; SMN2MLYCD
SCHEMBL257847 0.84 MLYCD (0.69) NPC1RAB9AMLYCDESRRGNAMPT
SCHEMBL15317659 0.84 ESRRG (0.73) MMP13SMN1; SMN2MLYCDESRRGNAMPT
SCHEMBL17888312 0.83 NAMPT (0.57) MMP13MLYCDNAMPTCDK4CCND1
SCHEMBL4387675 0.77 CYP1A2 (0.45) MMP13NPC1RAB9ASMN1; SMN2MLYCD
SCHEMBL4487134 0.77 CYP1A2 (0.53) MMP13NPC1RAB9ASMN1; SMN2MLYCD
SCHEMBL11172152 0.77 NAMPT (0.45) MMP13NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL12155870 0.76 TSHR (0.44) NPC1RAB9ASMN1; SMN2MLYCDESRRG
SCHEMBL7973811 0.76 LOXL2 (0.44) MMP13NPC1RAB9ASMN1; SMN2MLYCD
SCHEMBL7973810 0.76 CYP1A2 (0.44) MMP13NPC1RAB9ASMN1; SMN2MLYCD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — WO 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MMP13 3952/4885NPC1 3586/4885RAB9A 3888/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MMP13 3952/4885NPC1 3586/4885RAB9A 3888/4885

“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.

Send feedback