SCHEMBL3103943

SCHEMBL3103943

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CF)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
MAPK14 Q16539 4/20 0.39
TRPV1 Q8NER1 1/20 0.39
GABRA5 P31644 1/20 0.39
RIPK1 Q13546 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TTK P33981 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK11 Q15759 1/20 0.37
SMYD3 Q9H7B4 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
SCHEMBL3107658 0.90 MAPT (0.41) CYP1A2CYP2C19CYP2D6MAPTRAB9A
SCHEMBL3114886 0.90 RAB9A (0.41) CYP1A2CYP2C19CYP2D6MAPTRAB9A
SCHEMBL3107441 0.90 CYP1A2 (0.39) CYP1A2CYP2C19CYP2D6MAPTRAB9A
SCHEMBL3112482 0.89 RAB9A (0.40) CYP1A2CYP2C19CYP2D6MAPTRAB9A
SCHEMBL3115726 0.89 CYP1A2 (0.42) CYP1A2CYP2C19CYP2D6MAPTRAB9A
SCHEMBL3116893 0.89 SMYD3 (0.40) CYP1A2CYP2C19CYP2D6MAPTRAB9A
SCHEMBL3103987 0.89 CYP1A2 (0.41) CYP1A2CYP2C19CYP2D6MAPTRAB9A
SCHEMBL3110887 0.88 MAPT (0.39) CYP1A2CYP2C19CYP2D6MAPTRAB9A
SCHEMBL3107329 0.88 MAPK14 (0.39) CYP1A2CYP2C19CYP2D6MAPTRAB9A
SCHEMBL3112320 0.88 CYP1A2 (0.40) CYP1A2CYP2C19CYP2D6MAPTRAB9A

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 CYP1A2 418/4885CYP2C19 334/4885CYP2D6 1041/4885

“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.