SCHEMBL3023816

SCHEMBL3023816

COc1ccc(CN(c2ccccc2)c2cc(-c3ccc4c(N)noc4c3)nn3ccnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ 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
▸ STAT1 P42224 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SYK P43405 2/20 0.32
▸ JAK2 O60674 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
SCHEMBL3012557 0.94 EGFR (0.35) CYP19A1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3023355 0.78 CYP11B1 (0.36) CYP19A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3023245 0.78 CYP11B1 (0.43) CYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL3010219 0.78 CYP19A1 (0.39) CYP19A1ALDH1A1LMNAMAPT
SCHEMBL3022050 0.77 CYP19A1 (0.37) CYP19A1ALDH1A1NPC1RAB9AEGFR
SCHEMBL3014592 0.77 CYP19A1 (0.37) CYP19A1ALDH1A1ADORA2AEGFRCSF1R
SCHEMBL16515936 0.74 CYP19A1 (0.42) CYP19A1ALDH1A1SMN1; SMN2ACHELMNA
SCHEMBL3022229 0.69 CLPP (0.38) ACHEMAPT
SCHEMBL3019759 0.67 MEN1 (0.55) ALDH1A1SMN1; SMN2ACHE
SCHEMBL31528267 0.65 LMNA (0.41) CYP19A1ALDH1A1SMN1; SMN2L3MBTL1LMNA

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 CYP19A1 1368/4885ALDH1A1 3952/4885NPC1 4017/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CYP19A1 2013/4885ALDH1A1 4291/4885NPC1 4202/4885

“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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