SCHEMBL20176683

SCHEMBL20176683

NC(=O)c1ncccc1Oc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
CDC7 O00311 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
ICAM1 P05362 1/20 0.43
FYN P06241 1/20 0.43
CDK1 P06493 1/20 0.43
PIM1 P11309 1/20 0.43
SELE P16581 1/20 0.43
PRKACA P17612 1/20 0.43
VCAM1 P19320 1/20 0.43
CDK2 P24941 1/20 0.43
FLT4 P35916 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL726400 0.86 CTNNB1 (0.57) RAB9AICAM1SELESMN1; SMN2CTNNB1
SCHEMBL15897496 0.82 L3MBTL1 (0.49) SMN1; SMN2TLR7KDM4ELMNANPC1
SCHEMBL3700394 0.82 KDM4E (0.54) RAB9ASMN1; SMN2CTNNB1PARP10KDM4E
SCHEMBL27711531 0.76 SMN1; SMN2 (0.44) RAB9ACDC7DYRK3ROCK2MAP4K4
SCHEMBL27564839 0.75 CTNNB1 (0.51) RAB9ASMN1; SMN2CTNNB1PARP10KDM4E
SCHEMBL5971792 0.74 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2KDM4ELMNANPC1
SCHEMBL29503858 0.74 PLAU (0.53) RAB9ASMN1; SMN2LMNANPC1TP53
SCHEMBL1101140 0.74 PLAU (0.53) RAB9ASMN1; SMN2LMNANPC1TP53
SCHEMBL1330285 0.72 SMN1; SMN2 (0.51) CDC7DYRK3ROCK2MAP4K4ICAM1
SCHEMBL8441797 0.72 KMT2A (0.60) ICAM1SELESMN1; SMN2TLR7KDM4E

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 RAB9A 895/4885CDC7 542/4885DYRK3 234/4885

“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.