SCHEMBL20156356

SCHEMBL20156356

COC(=O)c1ccnn1Cc1cc2cccnc2nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
ELANE P08246 1/20 0.37
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRMT5 O14744 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34

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
SCHEMBL21281638 0.79 ALOX15 (0.37) ALOX15HTTTP53MAPTKMT2A
SCHEMBL20156317 0.78 KLKB1 (0.40) ALOX15HTTKMT2AKLKB1ALDH1A1
SCHEMBL20156355 0.74 SUCNR1 (0.42) ALOX15HTTKMT2ATSHRKDM4E
SCHEMBL28558680 0.73 ALOX15 (0.49) ALOX15HTTKDM4EALDH1A1HPGD
SCHEMBL21281621 0.72 MAOB (0.45) KMT2AKLKB1ELANEKDM4EHSD17B10
SCHEMBL12895010 0.71 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1ACP1LMNA
SCHEMBL21281665 0.71 ALDH1A1 (0.41) TP53MAPTKMT2AELANETSHR
SCHEMBL12463791 0.71 KDM4E (0.47) MAPTKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL28234801 0.70 ALOX15 (0.48) ALOX15HTTKMT2AKDM4EALDH1A1
SCHEMBL17221597 0.69 MAPT (0.47) ALOX15MAPTKMT2AF2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (2 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 ALOX15 2268/4885HTT 4391/4885TP53 1123/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 ALOX15 2268/4885HTT 4391/4885TP53 1123/4885

“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.