SCHEMBL3105073

SCHEMBL3105073

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
RIPK1 Q13546 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3110374 0.91 OPRM1 (0.44) BRD4ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL3115302 0.90 MAPK11 (0.45) BRD4ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL3101218 0.90 OPRM1 (0.46) BRD4ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL3118328 0.89 BRD4 (0.42) BRD4ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL3112386 0.89 OPRM1 (0.45) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL3115788 0.88 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL3115214 0.88 OPRM1 (0.46) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL3099846 0.87 GLS (0.41) BRD4ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL3114886 0.87 RAB9A (0.41) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL3107658 0.87 MAPT (0.41) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19

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 BRD4 700/4885ALDH1A1 3580/4885CYP1A2 418/4885

“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.