SCHEMBL3116355

SCHEMBL3116355

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CNCc2cccc(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
NTRK1 P04629 6/20 0.40
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CHRM4 P08173 1/20 0.39
JAK2 O60674 1/20 0.38
NAMPT P43490 1/20 0.38
GABRA5 P31644 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL3120869 0.90 BRD4 (0.43) BRD4NTRK1ALDH1A1POLBCHRM4
SCHEMBL3116110 0.90 LMNA (0.42) BRD4GABRA5MAPT
SCHEMBL3115302 0.90 MAPK11 (0.45) BRD4ALDH1A1POLBMAPT
SCHEMBL3110429 0.85 PKM (0.42) BRD4ALDH1A1POLBNAMPT
SCHEMBL3115214 0.84 OPRM1 (0.46) ALDH1A1POLBGAAMAPT
SCHEMBL3099680 0.84 GABRA5 (0.43) BRD4ALDH1A1CHRM4GABRA5MAPT
SCHEMBL3102880 0.83 OPRM1 (0.43) ALDH1A1POLBGAAMAPT
SCHEMBL3109687 0.82 HTR7 (0.43) POLBGABRA5MAPT
SCHEMBL3108441 0.82 CCR1 (0.47) BRD4ALDH1A1NAMPTGAAMAPT
SCHEMBL3105073 0.81 BRD4 (0.44) BRD4ALDH1A1POLBMAPT

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 700/4885NTRK1 758/4885NTRK3 573/4885

“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.