SCHEMBL19701779

SCHEMBL19701779

Cc1nnc(-c2cc(C)n3ncnc(N)c23)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 8/20 0.38
▸ PIK3CD O00329 2/20 0.36
▸ AXL P30530 4/20 0.36
▸ MERTK Q12866 4/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ TYRO3 Q06418 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDR P35968 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RET P07949 1/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ LCK P06239 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
SCHEMBL19701787 0.74 AXL (0.41) ACVRL1PIK3CDAXLMERTKTYRO3
SCHEMBL64684 0.72 ACVRL1 (0.51) ACVRL1AXLMERTKTYRO3ALDH1A1
SCHEMBL15826967 0.72 AXL (0.54) ACVRL1PIK3CDAXLMERTKTYRO3
SCHEMBL19701784 0.72 PIK3CD (0.48) ACVRL1PIK3CDAXLMERTKTYRO3
SCHEMBL12365553 0.72 ALDH1A1 (0.43) ACVRL1PIK3CDAXLMERTKTYRO3
SCHEMBL66503 0.72 ALDH1A1 (0.43) ACVRL1PIK3CDAXLMERTKTYRO3
SCHEMBL64680 0.71 ALDH1A1 (0.42) ACVRL1PIK3CDAXLMERTKTYRO3
SCHEMBL19701785 0.69 PIK3CD (0.46) ACVRL1PIK3CDAXLMERTKTYRO3
SCHEMBL19701786 0.69 PIK3CD (0.47) ACVRL1PIK3CDAXLMERTKTYRO3
SCHEMBL19701791 0.69 ACVRL1 (0.44) ACVRL1PIK3CDAXLMERTKTYRO3

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 ACVRL1 2053/4885PIK3CD 14/4885AXL 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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