SCHEMBL19703374

SCHEMBL19703374

Nc1ncnn2c(O)cc(O)c12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 14/20 0.37
▸ MAP4K4 O95819 1/20 0.35
▸ TNK2 Q07912 1/20 0.33
▸ RET P07949 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ CSNK2A2 P19784 2/20 0.32
▸ CSNK2A1 P68400 2/20 0.32
▸ PIK3CD O00329 1/20 0.31

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
SCHEMBL19703305 0.81 ACVRL1 (0.35) ACVRL1TNK2PIK3CD
SCHEMBL19710820 0.79 ACVRL1 (0.34) ACVRL1MAP4K4RETKDR
SCHEMBL22054780 0.78 FGFR1 (0.41) ACVRL1TNK2PIK3CD
SCHEMBL19710536 0.76 ACVRL1 (0.38) ACVRL1RETKDRPIK3CD
SCHEMBL22054932 0.72 PIK3CD (0.44) ACVRL1RETPIK3CD
SCHEMBL19710999 0.70 CSNK2A2 (0.32) ACVRL1CSNK2A2CSNK2A1
SCHEMBL12365553 0.65 ALDH1A1 (0.43) ACVRL1RETKDRPIK3CD
SCHEMBL66503 0.65 ALDH1A1 (0.43) ACVRL1RETKDRPIK3CD
SCHEMBL22677098 0.65 ACVRL1 (0.48) ACVRL1
SCHEMBL19377540 0.65 HTT (0.42) KDRPIK3CD

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 5 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-3209665-B1 SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-14 — — EP disclosed
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ACVRL1 2053/4885MAP4K4 1551/4885TNK2 896/4885
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 ACVRL1 3003/4885MAP4K4 1067/4885TNK2 447/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 ACVRL1 3003/4885MAP4K4 1067/4885TNK2 447/4885

“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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