SCHEMBL3022229

SCHEMBL3022229

COc1ccc(CN(c2ccccc2)c2cc(CN3CCC(=O)CC3)nn3ccnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ PDE1B Q01064 3/20 0.34
▸ ACHE P22303 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ APP P05067 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL3019759 0.85 MEN1 (0.55) SIGMAR1ACHEMEN1KMT2A
SCHEMBL3014592 0.83 CYP19A1 (0.37) SIGMAR1MAPTHTR1AMEN1KMT2A
SCHEMBL3010219 0.80 CYP19A1 (0.39) SIGMAR1MAPTTHRBHTR1AMEN1
SCHEMBL3022050 0.77 CYP19A1 (0.37) SIGMAR1MAPTTHRBHTR1ACNR1
SCHEMBL16515936 0.76 CYP19A1 (0.42) SIGMAR1ACHEMAPTHTR1ACNR1
SCHEMBL3023245 0.70 CYP11B1 (0.43) CNR1
SCHEMBL3023355 0.70 CYP11B1 (0.36) MAPTCNR1MEN1KMT2A
SCHEMBL3023816 0.69 CYP19A1 (0.35) ACHEMAPT
SCHEMBL3012557 0.69 EGFR (0.35) ACHEMAPT
SCHEMBL31528267 0.66 LMNA (0.41) SIGMAR1MAPTTHRBHTR1AMEN1

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 CLPP 4881/4885SIGMAR1 1489/4885PRMT5 1032/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CLPP 4877/4885SIGMAR1 1791/4885PRMT5 937/4885

“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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