SCHEMBL29813554

SCHEMBL29813554

CN1CCN(c2ccc(Nc3ncc4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.62
TTK P33981 1/20 0.59
ALK Q9UM73 1/20 0.58
MAP4K1 Q92918 1/20 0.56
CDK4 P11802 6/20 0.55
CCND1 P24385 4/20 0.55
CCND2 P30279 4/20 0.55
CCND3 P30281 4/20 0.55
AURKA O14965 2/20 0.55
CDK1 P06493 2/20 0.55
CCNB2 O95067 1/20 0.55
CCNE2 O96020 1/20 0.55
FGFR1 P11362 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNA2 P20248 1/20 0.55
FGFR2 P21802 1/20 0.55
FGFR4 P22455 1/20 0.55
FGFR3 P22607 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55

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
SCHEMBL29277198 0.86 SYK (0.60) TTKCDK4CCND1CCND2CCND3
SCHEMBL3814909 0.85 EGFR (0.57) EGFRALKCDK4CCND1CCND2
SCHEMBL1072153 0.84 SYK (0.55) EGFRCDK4CCND1CDK1FGFR1
SCHEMBL3583145 0.84 AURKA (0.64) EGFRALKMAP4K1CDK4CCND1
SCHEMBL10346428 0.82 CDK4 (0.61) EGFRALKMAP4K1CDK4CCND1
SCHEMBL30349229 0.81 DYRK1A (0.56) EGFR
SCHEMBL23010815 0.79 TTK (0.68) EGFRTTK
SCHEMBL17112501 0.79 EGFR (0.48) EGFR
SCHEMBL27174693 0.79 MAP4K1 (0.73) EGFRALKMAP4K1CDK4CCND1
SCHEMBL3971076 0.78 TTK (0.66) EGFRTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF VORONOIBIO INC. (KR) 2022-08-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF CDK4, CDK6, CDK16 EGFR 1516/4885TTK 34/4885ALK 1214/4885

“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.