SCHEMBL4580919

SCHEMBL4580919

Clc1cccc(Nc2nccc(N3CCNCC3c3ccccc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
CAMK2D Q13557 5/20 0.50
CDK2 P24941 4/20 0.49
CDK1 P06493 1/20 0.43
SMG1 Q96Q15 1/20 0.43
PRKCQ Q04759 1/20 0.43
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
CDK4 P11802 1/20 0.41
IGF1R P08069 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALK Q9UM73 1/20 0.41
EIF2AK2 P19525 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL4582377 0.82 CDK2 (0.52) KDRCAMK2DCDK2CDK1SMG1
SCHEMBL4582373 0.82 CDK2 (0.52) KDRCAMK2DCDK2CDK1SMG1
SCHEMBL4580811 0.82 KDR (0.51) KDRCAMK2DCDK2CDK1SMG1
SCHEMBL4580670 0.75 PRKCQ (0.49) KDRCAMK2DCDK2PRKCQALK
SCHEMBL3950037 0.73 CAMK2D (0.65) KDRCAMK2DCDK2CDK1SMG1
SCHEMBL4580389 0.72 NUDT1 (0.48) KDRCDK2CDK1SMG1PRKCD
SCHEMBL4582022 0.72 SMG1 (0.47) CDK2SMG1CDK4
SCHEMBL4582327 0.72 HDAC1 (0.47) KDRCDK2CDK4FLT1FLT4
SCHEMBL3949225 0.72 CAMK2D (0.67) KDRCAMK2DCDK2CDK1SMG1
SCHEMBL4580975 0.70 IKBKB (0.41) KDRCDK2SMG1CYP2D6ALK

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 2020/4885CAMK2D 2907/4885CDK2 254/4885

“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.