SCHEMBL3106609

SCHEMBL3106609

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C)c(OCCCCCF)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 7/20 0.40
MAPK14 Q16539 6/20 0.39
CYP2C9 P11712 2/20 0.39
RXRA P19793 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 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
SCHEMBL3109643 0.92 NR1I2 (0.41) NR1I2MAPK14CYP2C9HPGD
SCHEMBL3112317 0.91 NR1I2 (0.38) NR1I2MAPK14CYP2C9RAB9A
SCHEMBL3107519 0.91 NR1I2 (0.42) NR1I2MAPK14CYP2C9RAB9AHPGD
SCHEMBL3114490 0.90 NR1I2 (0.41) NR1I2MAPK14CYP2C9RAB9AHPGD
SCHEMBL3120840 0.90 NR1I2 (0.40) NR1I2MAPK14CYP2C9HPGD
SCHEMBL3102791 0.88 NR1I2 (0.39) NR1I2MAPK14
SCHEMBL3112085 0.87 BRD4 (0.46) NR1I2MAPK14CYP2C9RAB9AHPGD
SCHEMBL3118251 0.86 NR1I2 (0.44) NR1I2MAPK14HPGD
SCHEMBL3109733 0.85 NR1I2 (0.41) NR1I2CYP2C9RAB9A
SCHEMBL3115253 0.85 BRD4 (0.40) NR1I2RAB9AHPGD

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 NR1I2 296/4885MAPK14 1769/4885CYP2C9 494/4885

“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.