SCHEMBL3019914

SCHEMBL3019914

Cc1ccnc(Nc2cc(N)nn3cc([C@H]4CC[C@@H](N)CC4)nc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.41
▸ MAP3K12 Q12852 8/20 0.39
▸ DPP4 P27487 1/20 0.36
▸ PDE5A O76074 2/20 0.35
▸ SYK P43405 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ KCNN1 Q92952 1/20 0.33
▸ KCNN2 Q9H2S1 1/20 0.33
▸ KCNN3 Q9UGI6 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
SCHEMBL3022058 1.00 KARS1 (0.41) KARS1MAP3K12DPP4PDE5ASYK
SCHEMBL3009253 0.87 SMYD3 (0.37) KARS1MAP3K12PDE5ASYK
SCHEMBL3019257 0.86 LYN (0.39) MAP3K12KDM4EALDH1A1MEN1NPC1
SCHEMBL3024873 0.86 LYN (0.39) MAP3K12KDM4EALDH1A1MEN1NPC1
SCHEMBL3026219 0.86 MEN1 (0.39) MAP3K12SYKMEN1NPC1RAB9A
SCHEMBL3021943 0.86 SYK (0.35) SYK
SCHEMBL3012049 0.86 SYK (0.35) SYK
SCHEMBL3023450 0.85 RAB9A (0.33) SYKKDM4EALDH1A1MEN1NPC1
SCHEMBL3024786 0.84 KCNH2 (0.35) —
SCHEMBL3025242 0.84 DPP4 (0.35) DPP4KDM4EALDH1A1L3MBTL1NPC1

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 KARS1 1514/4885MAP3K12 4/4885DPP4 4226/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 KARS1 1588/4885MAP3K12 9/4885DPP4 4259/4885

“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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