SCHEMBL4576390

SCHEMBL4576390

Nc1nn2ccnc2c(NCc2cccc(Cl)c2)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.45
CCNT1 O60563 1/20 0.40
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
ADORA3 P0DMS8 3/20 0.38
APP P05067 1/20 0.36
MAP4K4 O95819 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
FYN P06241 1/20 0.35
MAOB P27338 1/20 0.35
HTR6 P50406 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL3526588 0.88 JAK2 (0.44) FLT3CCNT1CCNE1CDK2JAK2
SCHEMBL3017561 0.88 JAK2 (0.43) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL3026274 0.83 EGFR (0.40) FLT3CCNE1CDK2EGFR
SCHEMBL3532976 0.83 ADORA3 (0.35) FLT3ADORA3MAP4K4ACHEBACE1
SCHEMBL3115298 0.81 AXL (0.40) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL3019151 0.80 RIPK2 (0.39) FLT3CCNE1CDK2MAP4K4EGFR
SCHEMBL3024622 0.80 AXL (0.41) APPIGF1R
SCHEMBL3016835 0.80 RIPK2 (0.38) FLT3CCNE1CDK2MAP4K4EGFR
SCHEMBL3013662 0.78 CCNE1 (0.31) FLT3CCNE1CDK2
SCHEMBL3528275 0.78 SYK (0.37) FLT3CCNE1CDK2JAK2JAK3

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 4 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 claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US claimed
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 FLT3 155/4885CCNT1 1067/4885CCNE1 598/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 FLT3 334/4885CCNT1 1320/4885CCNE1 538/4885

“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.