SCHEMBL20176825

SCHEMBL20176825

O=c1ccn(-c2ccc(Br)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
AKR1C3 P42330 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.36
DPP4 P27487 1/20 0.35
G6PD P11413 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL2649367 0.82 GRIN2D (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29486491 0.82 GRIN2D (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20176821 0.76 KDM4E (0.44) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL17443527 0.74 GRIN2D (0.41) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2894523 0.72 CYP3A4 (0.46) ALDH1A1MAPTGAATSHR
SCHEMBL14995793 0.70 GRIN2D (0.46) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29132994 0.70 MAPT (0.37) ALDH1A1KDM4EMAPTNPC1DPP4
SCHEMBL15527477 0.69 GRIN2D (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18483941 0.69 GRIN2D (0.53) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24185902 0.69 ALDH1A1 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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 ALDH1A1 3977/4885GRIN2D 2275/4885GRIN3B 2347/4885

“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.