SCHEMBL19279752

SCHEMBL19279752

C[Si](C)(C)C#CC(=O)c1cc(Br)n2ncnc(N)c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 11/20 0.35
▸ CSNK2A1 P68400 11/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ PIK3CD O00329 6/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 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
SCHEMBL19710827 0.86 CSNK2A2 (0.34) CSNK2A2CSNK2A1NTRK1PIK3CDNTRK2
SCHEMBL21199390 0.80 CSNK2A2 (0.40) CSNK2A2CSNK2A1NTRK1PIK3CDNTRK2
SCHEMBL19280151 0.79 TNK2 (0.30) —
SCHEMBL14651915 0.78 NTRK1 (0.38) CSNK2A2CSNK2A1NTRK1PIK3CDNTRK2
SCHEMBL19279707 0.78 CSNK2A2 (0.39) CSNK2A2CSNK2A1NTRK1PIK3CD
SCHEMBL12537596 0.76 NTRK1 (0.41) CSNK2A2CSNK2A1NTRK1PIK3CDNTRK2
SCHEMBL19279744 0.75 PIK3CD (0.32) PIK3CD
SCHEMBL12285417 0.73 KDM4E (0.45) CSNK2A2CSNK2A1
SCHEMBL12283330 0.72 CSNK2A2 (0.43) CSNK2A2CSNK2A1NTRK1PIK3CD
SCHEMBL19280638 0.72 CSNK2A2 (0.38) CSNK2A2CSNK2A1NTRK1

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 14 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
EP-3209665-B1 SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-14 — — 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-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-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
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-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
EP-3209665-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-30 — — EP 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 (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 CSNK2A2 601/4885CSNK2A1 515/4885NTRK1 2389/4885
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 CSNK2A2 634/4885CSNK2A1 620/4885NTRK1 3437/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 CSNK2A2 634/4885CSNK2A1 620/4885NTRK1 3437/4885

“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.

Send feedback