SCHEMBL3107329

SCHEMBL3107329

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CC2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C9 P11712 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK11 Q15759 2/20 0.39
HSPB1 P04792 1/20 0.39
RIPK1 Q13546 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 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
SCHEMBL3110821 0.96 RXFP1 (0.40) MAPK14MAPTRAB9ACYP2C9CYP1A2
SCHEMBL3109062 0.95 RXFP1 (0.42) MAPK14RAB9ACYP1A2CYP2C19HPGD
SCHEMBL3114886 0.89 RAB9A (0.41) MAPK14MAPTRAB9ACYP2C9CYP1A2
SCHEMBL3107658 0.89 MAPT (0.41) MAPK14MAPTRAB9ACYP2C9CYP1A2
SCHEMBL3115726 0.88 CYP1A2 (0.42) MAPK14MAPTRAB9ACYP2C9CYP1A2
SCHEMBL3103943 0.88 CYP1A2 (0.41) MAPK14MAPTRAB9ACYP2C9CYP1A2
SCHEMBL3116893 0.88 SMYD3 (0.40) MAPK14MAPTRAB9ACYP2C9CYP1A2
SCHEMBL3112482 0.88 RAB9A (0.40) MAPK14MAPTRAB9ACYP2C9CYP1A2
SCHEMBL3101584 0.88 CYP1A2 (0.43) MAPK14MAPTRAB9ACYP2C9CYP1A2
SCHEMBL3110887 0.88 MAPT (0.39) MAPK14MAPTRAB9ACYP2C9CYP1A2

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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 (1 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 MAPK14 1769/4885MAPT 4724/4885RAB9A 2959/4885

“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.