SCHEMBL20186908

SCHEMBL20186908

Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
PLA2G2A P14555 1/20 0.34
MAPT P10636 2/20 0.34
ELANE P08246 2/20 0.33
CYP19A1 P11511 2/20 0.33
ACSS2 Q9NR19 1/20 0.33
HTR6 P50406 2/20 0.33
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
PDE4B Q07343 1/20 0.32
DNM1 Q05193 1/20 0.32
PRNP P04156 1/20 0.32

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
SCHEMBL29226858 0.79 MAPT (0.37) CASP3PLA2G2AMAPTHTR6HTT
SCHEMBL20186944 0.73 LIPG (0.41) EGFR
SCHEMBL30963691 0.72 SCN2B (0.39) CASP3PLA2G2AMAPTHTR6HTT
SCHEMBL20787968 0.70 HDAC1 (0.48) PLA2G2AHTR6
SCHEMBL2382103 0.70 PDK1 (0.40) MAPTCYP19A1
SCHEMBL3299162 0.69 CASP3 (0.45) CASP3MAPTDNM1
SCHEMBL3042174 0.68 NPC1 (0.41) MAPTHTTSRC
SCHEMBL26390731 0.66 ELANE (0.38) PLA2G2AELANEHTTCA12CA9
SCHEMBL4143502 0.66 ELANE (0.45) PLA2G2AELANEEGFRSRCPRNP
SCHEMBL17673244 0.66 MAPT (0.33) MAPTHTR6

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
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 CASP3 3021/4885PLA2G2A 3905/4885MAPT 4457/4885

“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.