SCHEMBL19280361

SCHEMBL19280361

COC(=O)c1cc(Br)n2ccnc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ GAA P10253 4/20 0.38
▸ GLA P06280 2/20 0.38
▸ TNK2 Q07912 4/20 0.38
▸ HPGD P15428 3/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ GRK5 P34947 1/20 0.36
▸ MAPK8 P45983 1/20 0.36

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
SCHEMBL19280424 0.82 NAPRT (0.42) KDM4EGLATNK2BTK
SCHEMBL19280262 0.81 SRC (0.34) RETKDRTNK2BTK
SCHEMBL12537596 0.76 NTRK1 (0.41) KDRABL1DAPK3CSF1RMET
SCHEMBL19280151 0.76 TNK2 (0.30) TNK2
SCHEMBL19711100 0.75 FGFR1 (0.31) TNK2
SCHEMBL21875495 0.69 PTK2 (0.37) KDM4EALDH1A1GAAGLAPTK2
SCHEMBL6179085 0.68 GAA (0.48) KDM4EALDH1A1GAAGLAABL1
SCHEMBL15651381 0.68 RET (0.38) RETKDRKDM4EALDH1A1GAA
SCHEMBL29857790 0.66 OPRK1 (0.49) KDM4EALDH1A1GAAGLATSHR
SCHEMBL1093551 0.66 OPRK1 (0.49) KDM4EALDH1A1GAAGLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 — — EP disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 — — EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
EP-3209664-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-30 — — EP 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 RET 332/4885KDR 1952/4885KDM4E 2233/4885

“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.

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