SCHEMBL3021969

SCHEMBL3021969

COc1ccc(CN(c2ccccc2)c2cc(Cl)nn3c(C(N)=O)cnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2A1 Q16548 2/20 0.39
▸ NR3C1 P04150 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ TP53 P04637 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KLK1 P06870 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PDE1B Q01064 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL3017547 0.93 BCL2A1 (0.40) BCL2A1NR3C1SMN1; SMN2TP53GAA
SCHEMBL24263381 0.86 PDE1B (0.39) NR3C1SMN1; SMN2MEN1KMT2APDE1B
SCHEMBL13422031 0.86 SMN1; SMN2 (0.36) BCL2A1NR3C1SMN1; SMN2TP53GAA
SCHEMBL3022661 0.85 DHODH (0.42) NR3C1SMN1; SMN2TYK2MEN1KMT2A
SCHEMBL3025027 0.84 PDE1B (0.37) BCL2A1NR3C1SMN1; SMN2TP53GAA
SCHEMBL3024933 0.84 TP53 (0.36) BCL2A1NR3C1SMN1; SMN2TP53GAA
SCHEMBL3717107 0.83 NR3C1 (0.39) NR3C1MEN1KMT2AMAPTALDH1A1
SCHEMBL20504495 0.82 PDE1B (0.38) TYK2MEN1KMT2APDE1B
SCHEMBL2358823 0.81 NR1D1 (0.36) BCL2A1NR3C1SMN1; SMN2TP53GAA
SCHEMBL3026837 0.81 TYK2 (0.47) TYK2PDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 — — EP disclosed
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
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — 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 (3 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 BCL2A1 2699/4885NR3C1 750/4885SMN1; SMN2 3786/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 BCL2A1 1776/4885NR3C1 697/4885SMN1; SMN2 4011/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 BCL2A1 1883/4885NR3C1 544/4885SMN1; SMN2 4020/4885

“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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