SCHEMBL4581040

SCHEMBL4581040

Cc1cccc(Nc2nccc(N3CCNC(=O)C3c3ccccc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.51
FLT1 P17948 3/20 0.51
FLT4 P35916 3/20 0.51
AURKA O14965 1/20 0.43
MAPK8 P45983 1/20 0.43
AURKB Q96GD4 1/20 0.43
CDK2 P24941 2/20 0.43
CDK1 P06493 2/20 0.43
SMG1 Q96Q15 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
EGFR P00533 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL4582376 0.90 KDR (0.43) KDRAURKACDK2CDK1SMG1
SCHEMBL4580811 0.89 KDR (0.51) KDRFLT1FLT4CDK2CDK1
SCHEMBL4582327 0.89 HDAC1 (0.47) KDRFLT1FLT4MAPK8CDK2
SCHEMBL4579436 0.88 FLT1 (0.52) KDRFLT1FLT4AURKAMAPK8
SCHEMBL4581942 0.87 IKBKB (0.46) CDK2SMG1JAK3SYK
SCHEMBL4581069 0.85 ABL1 (0.49) AURKAAURKBCDK2CDK1ABL1
SCHEMBL4580232 0.85 IDH1 (0.46) MEN1KMT2A
SCHEMBL4580975 0.83 IKBKB (0.41) KDRCDK2SMG1ALDH1A1USP2
SCHEMBL4580865 0.83 MAPK14 (0.42) KDRMAPK8JAK2JAK3EGFR
SCHEMBL4580953 0.83 KDR (0.48) KDRCDK2CDK1CCNB2RET

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 2020/4885FLT1 407/4885FLT4 1739/4885

“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.