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SCHEMBL3114452

SCHEMBL3114452

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CCc2nccs2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.37
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PSMD14 O00487 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL3120116 0.90 RXFP1 (0.36) RXFP1CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL3114886 0.87 RAB9A (0.41) RXFP1CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL3110887 0.85 MAPT (0.39) RXFP1CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL3112521 0.84 RAB9A (0.41) RXFP1CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL3110374 0.83 OPRM1 (0.44) CYP1A2CYP2C19ALDH1A1HPGDCYP2C9
SCHEMBL3103874 0.83 MAPK14 (0.41) RXFP1CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL3110476 0.83 NAMPT (0.38) RXFP1CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL3099688 0.83 NAMPT (0.41) CYP1A2CYP2C19ALDH1A1HPGDCYP2C9
SCHEMBL3107658 0.83 MAPT (0.41) RXFP1CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL3107441 0.82 CYP1A2 (0.39) RXFP1CYP1A2CYP2C19ALDH1A1HPGD

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 RXFP1 77/4885CYP1A2 418/4885CYP2C19 334/4885

“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.