SCHEMBL12283605

SCHEMBL12283605

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAOB P27338 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PDE4D Q08499 1/20 0.36
▸ TP53 P04637 2/20 0.36

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
SCHEMBL14652253 0.97 GAA (0.38) GAAPTPN1POLBTDP1APEX1
SCHEMBL12283712 0.88 GAA (0.40) GAAPTPN1L3MBTL1MAPTSMN1; SMN2
SCHEMBL14654970 0.88 GAA (0.40) GAAPTPN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14652251 0.85 GAA (0.38) GAATDP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL30598755 0.77 PTPN1 (0.40) PTPN1POLBL3MBTL1MAPTSMN1; SMN2
SCHEMBL30678371 0.76 PDE1B (0.42) PTPN1POLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL22055764 0.71 PDE2A (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EPDE1B
SCHEMBL21199274 0.70 PDE2A (0.41) PTPN1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL19280466 0.68 PDE2A (0.41) GAAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL21199277 0.68 KDM4E (0.39) GAATDP1L3MBTL1MAPTSMN1; SMN2

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-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
WO-2011123493-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 — — WO 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 803/4885POLB 2122/4885

“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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