SCHEMBL3023966

SCHEMBL3023966

Cc1cc2cc(Nc3c(C)c(N)nn4cc([C@H]5CC[C@H](N)CC5)nc34)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
VCP P55072 5/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SYK P43405 1/20 0.33
PRKCQ Q04759 2/20 0.33
PRKCD Q05655 1/20 0.33
CYP2A6 P11509 1/20 0.32
KEAP1 Q14145 1/20 0.32
KDR P35968 2/20 0.32
FLT1 P17948 2/20 0.32
TGFBR1 P36897 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL3007600 0.85 MAPT (0.34)
SCHEMBL3018226 0.84 EGFR (0.39) EGFRVCPMAOAMAOBTLR9
SCHEMBL3015022 0.83 NPC1 (0.42) EGFRTLR9TLR8TLR7
SCHEMBL3531352 0.81 SRC (0.39) EGFRTLR9TLR8TLR7
SCHEMBL3023068 0.81 SRC (0.39) EGFRTLR9TLR8TLR7
SCHEMBL3017833 0.81 SRC (0.39) EGFRTLR9TLR8TLR7
SCHEMBL3019404 0.81 SRC (0.36) KDR
SCHEMBL3528068 0.80 NPC1 (0.32)
SCHEMBL3025260 0.80 NPC1 (0.32)
SCHEMBL3018900 0.79 KMT2A (0.40)

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 492/4885VCP 4472/4885MAOA 2024/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 EGFR 381/4885VCP 4347/4885MAOA 2194/4885

“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.