SCHEMBL20177033

SCHEMBL20177033

O=C(Nc1cccc(F)n1)c1ncc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GRM5 P41594 7/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CYP3A4 P08684 1/20 0.45
FFAR2 O15552 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR4A2 P43354 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
SCHEMBL20177032 0.80 RXFP1 (0.57) MEN1KMT2AGRM5NPC1RAB9A
SCHEMBL21579395 0.77 NPC1 (0.50) MEN1KMT2AGRM5CYP1A2CYP2C9
SCHEMBL21579348 0.76 NPC1 (0.62) MEN1KMT2AGRM5CYP1A2NPC1
SCHEMBL3631785 0.73 MEN1 (0.50) MEN1KMT2AGRM5CYP1A2CYP2C9
SCHEMBL14659262 0.73 SMN1; SMN2 (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL14659580 0.72 ATR (0.53) MEN1KMT2ACYP1A2NPC1RAB9A
SCHEMBL5630272 0.72 KDM4E (0.61) MEN1KMT2AGRM5CYP1A2CYP2C9
SCHEMBL5630269 0.72 FFAR2 (0.51) MEN1KMT2AGRM5CYP1A2CYP2C9
SCHEMBL21395183 0.71 NPC1 (0.47) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL20177031 0.69 GRM5 (0.49) GRM5ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 WO 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 MEN1 3821/4885KMT2A 1689/4885GRM5 3806/4885

“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.