SCHEMBL19703305

SCHEMBL19703305

Nc1ncnn2c(Br)cc(O)c12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 15/20 0.35
▸ PIK3CD O00329 4/20 0.32
▸ TNK2 Q07912 1/20 0.32

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
SCHEMBL19703374 0.81 ACVRL1 (0.37) ACVRL1PIK3CDTNK2
SCHEMBL19279742 0.79 PIK3CD (0.38) ACVRL1PIK3CD
SCHEMBL21199422 0.79 ACVRL1 (0.39) ACVRL1PIK3CD
SCHEMBL19698013 0.79 PIK3CD (0.35) ACVRL1PIK3CD
SCHEMBL19280583 0.79 PIK3CD (0.39) ACVRL1PIK3CD
SCHEMBL19280492 0.78 ACVRL1 (0.41) ACVRL1
SCHEMBL14651915 0.77 NTRK1 (0.38) ACVRL1PIK3CDTNK2
SCHEMBL19279707 0.77 CSNK2A2 (0.39) PIK3CD
SCHEMBL21199034 0.76 ACVRL1 (0.34) ACVRL1PIK3CD
SCHEMBL21199390 0.76 CSNK2A2 (0.40) ACVRL1PIK3CD

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-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

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-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 ACVRL1 3003/4885PIK3CD 6/4885TNK2 447/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 ACVRL1 3003/4885PIK3CD 6/4885TNK2 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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