SCHEMBL19701786

SCHEMBL19701786

Cc1cc(-c2nccs2)c2c(N)ncnn12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.47
▸ ACVRL1 P37023 9/20 0.38
▸ AXL P30530 4/20 0.36
▸ MERTK Q12866 4/20 0.36
▸ TYRO3 Q06418 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ RET P07949 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ ADK P55263 1/20 0.33

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
SCHEMBL19701784 0.78 PIK3CD (0.48) PIK3CDACVRL1AXLMERTKTYRO3
SCHEMBL19701787 0.77 AXL (0.41) PIK3CDACVRL1AXLMERTKTYRO3
SCHEMBL19701781 0.74 PIK3CD (0.51) PIK3CDACVRL1AXLMERTKTYRO3
SCHEMBL64684 0.72 ACVRL1 (0.51) ACVRL1AXLMERTKTYRO3ALDH1A1
SCHEMBL15826967 0.72 AXL (0.54) PIK3CDACVRL1AXLMERTKTYRO3
SCHEMBL19701785 0.72 PIK3CD (0.46) PIK3CDACVRL1AXLMERTKTYRO3
SCHEMBL12365553 0.72 ALDH1A1 (0.43) PIK3CDACVRL1AXLMERTKTYRO3
SCHEMBL66503 0.72 ALDH1A1 (0.43) PIK3CDACVRL1AXLMERTKTYRO3
SCHEMBL19701791 0.71 ACVRL1 (0.44) PIK3CDACVRL1AXLMERTKTYRO3
SCHEMBL7602863 0.71 ACVRL1 (0.43) PIK3CDACVRL1ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 PIK3CD 14/4885ACVRL1 2053/4885AXL 1201/4885

“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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