SCHEMBL3107441

SCHEMBL3107441

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CCCF)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
FOLH1 Q04609 2/20 0.38
CYP2C9 P11712 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK14 Q16539 4/20 0.37
GABRA5 P31644 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL3103987 0.97 CYP1A2 (0.41) CYP1A2CYP2C19CYP2D6FOLH1CYP2C9
SCHEMBL3112320 0.96 CYP1A2 (0.40) CYP1A2CYP2C19CYP2D6FOLH1CYP2C9
SCHEMBL3107175 0.92 SMYD3 (0.41) CYP1A2CYP2C19CYP2D6CYP2C9HPGD
SCHEMBL3120346 0.92 RAB9A (0.39) FOLH1CYP2C9MAPTRAB9AMAPK14
SCHEMBL3112521 0.92 RAB9A (0.41) CYP1A2CYP2C19CYP2D6CYP2C9HPGD
SCHEMBL3112589 0.92 RAB9A (0.44) HPGDMAPTRAB9AMAPK14GABRA5
SCHEMBL3103874 0.91 MAPK14 (0.41) CYP1A2CYP2C19CYP2D6CYP2C9HPGD
SCHEMBL3114886 0.91 RAB9A (0.41) CYP1A2CYP2C19CYP2D6CYP2C9HPGD
SCHEMBL3103943 0.90 CYP1A2 (0.41) CYP1A2CYP2C19CYP2D6CYP2C9HPGD
SCHEMBL3110887 0.89 MAPT (0.39) CYP1A2CYP2C19CYP2D6CYP2C9HPGD

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.