SCHEMBL6476650

SCHEMBL6476650

Clc1ccc(Nc2ncnc(-c3ccnc(N4CCCCC4)c3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMG1 Q96Q15 5/20 0.58
▸ TBK1 Q9UHD2 3/20 0.47
▸ CDK1 P06493 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ KDR P35968 2/20 0.46
▸ CCNB2 O95067 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ CSNK1E P49674 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ CSNK1G2 P78368 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ CDK5 Q00535 1/20 0.46

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
SCHEMBL6475220 0.88 CDK1 (0.61) SMG1CDK1CDK2KDRCCNB2
SCHEMBL2327157 0.70 SMN1; SMN2 (0.50) CDK1CDK2KDRCCNB2CDK4
SCHEMBL6488247 0.70 CDK2 (0.47) SMG1CDK1CDK2KDRCCNB2
SCHEMBL2330481 0.70 KDR (0.46) CDK1CDK2KDRCCNB2CDK4
SCHEMBL2326760 0.70 CDK1 (0.51) TBK1CDK1CDK2KDRCCNB2
SCHEMBL2326791 0.68 MAPK1 (0.60) CDK1CDK2KDRCCNB2CDK4
SCHEMBL3247402 0.68 GALR2 (0.62) —
SCHEMBL2331567 0.68 RAB9A (0.54) CDK1CDK2KDRCCNB2CDK4
SCHEMBL19027125 0.67 HRH4 (0.54) NFKB1NFKB2RELA
SCHEMBL3949225 0.67 CAMK2D (0.67) SMG1CDK1CDK2KDRCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130968-A1 Fungicidal 4-(2-aminopyridin-4-yl)-N-phenyl-1,3,5-triazin-2-amine derivatives IRVINE NICHOLAS M (US) 2005-06-16 — — US disclosed
WO-2005033095-A1 FUNGICIDAL 4-(2-AMINOPYRIDIN-4-YL)-N-PHENYL-1,3,5-TRIAZIN-2-AMINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2005-04-14 — — WO 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 (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-20050130968-A1 Fungicidal 4-(2-aminopyridin-4-yl)-N-phenyl-1,3,5-triazin-2-amine derivatives AADAC, DDT, TH SMG1 2868/4885TBK1 3781/4885CDK1 2757/4885

“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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