SCHEMBL19703424

SCHEMBL19703424

CS(C)(C)C#Cc1cc(Br)n2ncnc(N)c12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 11/20 0.33
▸ ACVRL1 P37023 1/20 0.30

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
SCHEMBL19279744 0.82 PIK3CD (0.32) PIK3CDACVRL1
SCHEMBL19701811 0.81 RET (0.31) ACVRL1
SCHEMBL19279675 0.78 DAPK3 (0.31) PIK3CDACVRL1
SCHEMBL19279671 0.78 PIK3CD (0.42) PIK3CD
SCHEMBL19710827 0.76 CSNK2A2 (0.34) PIK3CDACVRL1
SCHEMBL19698013 0.72 PIK3CD (0.35) PIK3CDACVRL1
SCHEMBL21199422 0.69 ACVRL1 (0.39) PIK3CDACVRL1
SCHEMBL19703305 0.69 ACVRL1 (0.35) PIK3CDACVRL1
SCHEMBL19280583 0.69 PIK3CD (0.39) PIK3CDACVRL1
SCHEMBL19279742 0.69 PIK3CD (0.38) PIK3CDACVRL1

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 3 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — 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 (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 PIK3CD 14/4885ACVRL1 2053/4885
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 PIK3CD 6/4885ACVRL1 3003/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 PIK3CD 6/4885ACVRL1 3003/4885

“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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