SCHEMBL20156317

SCHEMBL20156317

COC(=O)c1ncn(Cc2cc3cccnc3nc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.40
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
IGF1R P08069 1/20 0.33
ACP1 P24666 1/20 0.33
RIPK1 Q13546 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
SCHEMBL28414528 0.83 MEN1 (0.41) KLKB1NOTUMMEN1NPC1RAB9A
SCHEMBL20156356 0.78 ALOX15 (0.39) KLKB1ALOX15HTTKMT2AALDH1A1
SCHEMBL21281638 0.77 ALOX15 (0.37) KLKB1ALOX15HTTMEN1NPC1
SCHEMBL18367236 0.76 ADORA2A (0.40) KLKB1NOTUMRIPK1
SCHEMBL18367120 0.75 TSHR (0.47) KLKB1HTTNOTUMMEN1NPC1
SCHEMBL21281674 0.75 SUCNR1 (0.41) ALOX15HTTNOTUMMEN1KMT2A
SCHEMBL30092730 0.73 NPSR1 (0.46) HTTMEN1NPC1RAB9AKMT2A
SCHEMBL18367122 0.73 NPSR1 (0.46) HTTMEN1NPC1RAB9AKMT2A
SCHEMBL30587603 0.73 KDM4E (0.46) ALOX15NOTUMMEN1KMT2AALDH1A1
SCHEMBL18367249 0.73 KDM4E (0.46) ALOX15NOTUMMEN1KMT2AALDH1A1

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 KLKB1 635/4885ALOX15 2268/4885HTT 4391/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 KLKB1 635/4885ALOX15 2268/4885HTT 4391/4885

“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.