SCHEMBL20177030

SCHEMBL20177030

O=C(Nc1ccc(F)cn1)c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
RXFP1 Q9HBX9 2/20 0.57
NAMPT P43490 1/20 0.55
CXCR2 P25025 1/20 0.53
HCAR3 P49019 1/20 0.53
LMNA P02545 1/20 0.52
DEGS1 O15121 1/20 0.51
PTGS1 P23219 2/20 0.50
F10 P00742 2/20 0.50
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADCY1 Q08828 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL2890734 0.91 KDM4E (0.68) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL3501490 0.85 CXCR2 (0.57) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL23566379 0.84 HCAR3 (0.69) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL17184836 0.82 PTGS1 (0.74) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL21579395 0.81 NPC1 (0.50) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL29858775 0.81 RAB9A (0.73) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL3409610 0.81 RAB9A (0.73) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL3851843 0.80 NPC1 (0.57) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL24891928 0.79 NPC1 (0.68) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL15205141 0.78 KDM4E (0.60) KDM4EKMT2AMEN1NPC1RAB9A

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 KDM4E 2267/4885KMT2A 1689/4885MEN1 3821/4885

“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.