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SCHEMBL3109062

SCHEMBL3109062

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD11B1 P28845 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ DDR2 Q16832 1/20 0.38
▸ MAP3K20 Q9NYL2 1/20 0.38
▸ MAP3K4 Q9Y6R4 1/20 0.38

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 0.99 RXFP1 (0.40) RXFP1KMT2AHSD11B1CYP1A2CYP2C19
SCHEMBL3107329 0.95 MAPK14 (0.39) RXFP1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL3104172 0.89 CYP1A2 (0.41) HSD11B1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL3114886 0.89 RAB9A (0.41) RXFP1KMT2AHSD11B1CYP1A2CYP2C19
SCHEMBL3099327 0.88 CYP1A2 (0.42) HSD11B1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL3107658 0.87 MAPT (0.41) RXFP1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL3116893 0.86 SMYD3 (0.40) RXFP1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL3115726 0.86 CYP1A2 (0.42) RXFP1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL3103943 0.86 CYP1A2 (0.41) RXFP1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL3112482 0.86 RAB9A (0.40) RXFP1KMT2ACYP1A2CYP2C19CYP2D6

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 77/4885KMT2A 2286/4885HSD11B1 1150/4885

“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.