SCHEMBL5263564

SCHEMBL5263564

NC(=S)Nc1cccc(SC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.51
TRPV1 Q8NER1 5/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
TYR P14679 1/20 0.47
TSHR P16473 1/20 0.47
TAS2R38 P59533 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 3/20 0.45
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
KIF11 P52732 2/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL5258865 0.84 KIF11 (0.60) KMT2ATRPV1ALDH1A1TP53TSHR
SCHEMBL8332645 0.84 TRPV1 (0.48) TRPV1ALDH1A1RXFP1UBE2MDCUN1D1
SCHEMBL5525900 0.80 KIF11 (0.63) KMT2ATRPV1ALDH1A1TP53TYR
SCHEMBL651726 0.78 MAPT (0.64) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL24265413 0.78 TRPV1 (0.43) CYP1A2TRPV1ALDH1A1TSHRRXFP1
SCHEMBL19364344 0.78 TRPV1 (0.46) TRPV1ALDH1A1TSHRRXFP1UBE2M
SCHEMBL11738389 0.77 L3MBTL1 (0.59) CYP1A2TRPV1ALDH1A1HSD17B10RXFP1
SCHEMBL4047674 0.76 KMT2A (0.76) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL230618 0.75 IDO1 (0.71) KMT2ACYP1A2ALDH1A1IDO1
SCHEMBL8349598 0.74 RXFP1 (0.44) TRPV1ALDH1A1TSHRRXFP1UBE2M

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP claimed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO claimed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KMT2A 792/4885CYP1A2 407/4885TRPV1 1007/4885

“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.