SCHEMBL4582376

SCHEMBL4582376

O=C1NCCN(c2ccnc(Nc3ccccc3)n2)C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
IKBKB O14920 2/20 0.41
PRKCD Q05655 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
NPC1 O15118 1/20 0.41
PDPK1 O15530 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
LYN P07948 1/20 0.41
MAPT P10636 1/20 0.41
KIT P10721 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR3 P22607 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4580975 0.93 IKBKB (0.41) KDRIKBKBCDK2MAPK1CHUK
SCHEMBL4580865 0.93 MAPK14 (0.42) KDRNPC1MAPTMAPK1RAB9A
SCHEMBL4581955 0.91 IKBKB (0.42) IKBKBMAPTCDK2CHUKMKNK1
SCHEMBL4582327 0.90 HDAC1 (0.47) KDRNPC1PIM1CDK2RAB9A
SCHEMBL4580811 0.90 KDR (0.51) KDRPRKCDCDK1CDK2ALK
SCHEMBL4581040 0.90 KDR (0.51) KDRAURKANPC1CDK1CDK2
SCHEMBL4580743 0.90 KDR (0.50) KDRIKBKBNPC1MAPTMAPK1
SCHEMBL4581942 0.88 IKBKB (0.46) IKBKBCDK2CHUKCDC7SMG1
SCHEMBL4579436 0.87 FLT1 (0.52) KDRIKBKBAURKACHEK2PRKCG
SCHEMBL4581069 0.87 ABL1 (0.49) AURKACDK1CDK2ABL1EGFR

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
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 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 (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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 KDR 2020/4885IKBKB 130/4885PRKCD 937/4885

“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.