SCHEMBL3014552

SCHEMBL3014552

Nc1nn2ccnc2c(Nc2nccc3ccccc23)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.35
HTR3A P46098 1/20 0.35
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
BACE1 P56817 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL3021155 0.88 MAPK8 (0.34) MAPK8EGFRCCNE1CDK2FLT3
SCHEMBL3018103 0.82 CDK2 (0.37) MAPK8EGFRCCNE1CDK2FLT3
SCHEMBL3023111 0.82 CDK2 (0.37) MAPK8EGFRCCNE1CDK2FLT3
SCHEMBL3006896 0.82 CDK2 (0.37) MAPK8EGFRCCNE1CDK2FLT3
SCHEMBL3023139 0.81 PIM1 (0.37) MAPK8CCNE1CDK2FLT3JAK2
SCHEMBL3026222 0.81 GABRG2 (0.36) MAPK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL3012433 0.81 GABRG2 (0.36) MAPK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL3006212 0.80 MAPK8 (0.37) MAPK8HTR3ANCF1GABRA1GABRG2
SCHEMBL3027673 0.80 JAK2 (0.32) MAPK8CCNE1CDK2FLT3JAK2
SCHEMBL3020341 0.80 CDK2 (0.40) MAPK8CCNE1CDK2FLT3JAK2

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 MAPK8 84/4885HTR3A 2333/4885F12 1473/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPK8 78/4885HTR3A 1359/4885F12 1565/4885

“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.