SCHEMBL20176867

SCHEMBL20176867

Cc1cnc(Oc2ccncc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 4/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
MAP4K4 O95819 1/20 0.37
LTA4H P09960 2/20 0.36
PTGS2 P35354 1/20 0.35
BRAF P15056 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL752996 0.82 HTT (0.52) KMT2ARAB9ANPC1MEN1HTT
SCHEMBL20176878 0.80 LMNA (0.50) KMT2ARAB9AALDH1A1MAP4K4LTA4H
SCHEMBL4797787 0.79 KDM4E (0.50) KMT2ARAB9AKDM4ENPC1MEN1
SCHEMBL4797783 0.79 KMT2A (0.40) KMT2ARAB9AKDM4ENPC1MEN1
SCHEMBL755451 0.79 MEN1 (0.54) KMT2ARAB9AKDM4ENPC1MEN1
SCHEMBL8736898 0.77 KDM4E (0.51) KMT2ARAB9AKDM4ENPC1MEN1
SCHEMBL18214766 0.74 KMT2A (0.46) KMT2ARAB9AKDM4ENPC1MEN1
SCHEMBL20176873 0.74 TGFBR1 (0.46) KMT2AMEN1MAP4K4LTA4H
SCHEMBL24168084 0.73 HTT (0.57) KMT2ARAB9ANPC1MEN1HTT
SCHEMBL20176874 0.72 KDM4E (0.41) KMT2ARAB9AKDM4ENPC1MEN1

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 KMT2A 1689/4885RAB9A 895/4885KDM4E 2267/4885

“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.