SCHEMBL3012557

SCHEMBL3012557

COc1ccc(CN(c2ccccc2)c2cc(-c3ccc4onc(N)c4c3)nn3ccnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ SYK P43405 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ PTPN22 Q9Y2R2 1/20 0.32
▸ TP53 P04637 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
SCHEMBL3023816 0.94 CYP19A1 (0.35) EGFRCSF1RCYP19A1NPC1RAB9A
SCHEMBL3023245 0.78 CYP11B1 (0.43) CYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL3023355 0.78 CYP11B1 (0.36) CYP19A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3010219 0.78 CYP19A1 (0.39) CYP19A1ALDH1A1MAPTTP53
SCHEMBL3014592 0.77 CYP19A1 (0.37) EGFRCSF1RCYP19A1ALDH1A1ADORA2A
SCHEMBL3022050 0.77 CYP19A1 (0.37) EGFRCSF1RCYP19A1NPC1RAB9A
SCHEMBL16515936 0.74 CYP19A1 (0.42) CYP19A1SMN1; SMN2ALDH1A1MAPTACHE
SCHEMBL3019853 0.71 SYK (0.42) SYK
SCHEMBL3022229 0.69 CLPP (0.38) MAPTACHE
SCHEMBL3019759 0.67 MEN1 (0.55) SMN1; SMN2ALDH1A1BCHEACHE

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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (2 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 EGFR 492/4885CSF1R 1160/4885CYP19A1 1368/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 EGFR 381/4885CSF1R 870/4885CYP19A1 2013/4885

“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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