SCHEMBL14652253

SCHEMBL14652253

CCOC(=O)c1cc(C(=O)O)n2ncnc(N(Cc3ccc(C)cc3)Cc3ccc(OC)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL12283605 0.97 GAA (0.39) GAAPTPN1TDP1POLBAPEX1
SCHEMBL14652251 0.88 GAA (0.38) GAATDP1MAPTSMN1; SMN2LMNA
SCHEMBL14654970 0.85 GAA (0.40) GAAPTPN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12283712 0.85 GAA (0.40) GAAPTPN1L3MBTL1MAPTSMN1; SMN2
SCHEMBL30598755 0.74 PTPN1 (0.40) PTPN1POLBL3MBTL1MAPTSMN1; SMN2
SCHEMBL30678371 0.74 PDE1B (0.42) PTPN1POLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL22055764 0.69 PDE2A (0.43) MAPTSMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL21199274 0.69 PDE2A (0.41) PTPN1MAPTSMN1; SMN2LMNANPC1
SCHEMBL21199713 0.68 CNR1 (0.39) MAPTSMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL19280466 0.67 PDE2A (0.41) GAAMAPTSMN1; SMN2LMNANPC1

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-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 — — US disclosed
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 — — 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-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 GAA 3365/4885PTPN1 803/4885TDP1 1561/4885

“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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