SCHEMBL21630293

SCHEMBL21630293

O=C(CBr)c1cnc(Oc2ccc(Br)cc2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 14/20 0.53
MAPK8 P45983 7/20 0.53
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL21630295 0.85 MAPK10 (0.54) MAPK10MAPK8KDM4ETHRBGAA
SCHEMBL20027368 0.81 MAPK10 (0.45) MAPK10MAPK8KDM4ETHRBGAA
SCHEMBL18529459 0.78 KDM4E (0.50) MAPK10MAPK8KDM4EGAANPC1
SCHEMBL20027452 0.75 MAPK10 (0.40) MAPK10MAPK8KDM4ETHRBGAA
Bromide SCHEMBL21630302 0.74 MAPK10 (0.39) MAPK10MAPK8KDM4EGAANPC1
SCHEMBL18529461 0.72 MEN1 (0.55) MAPK10MAPK8KDM4EGAANPC1
SCHEMBL7787360 0.72 GSK3B (0.44) THRBGAA
SCHEMBL20027290 0.71 GSK3B (0.38) MAPK10MAPK8THRBALDH1A1MAPT
SCHEMBL18529484 0.70 GAA (0.45) MAPK10KDM4EGAANPC1ALDH1A1
SCHEMBL14645459 0.69 AR (0.50) MAPK10THRBGAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C MAPK10 2374/4885MAPK8 1016/4885KDM4E 608/4885

“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.