SCHEMBL3736952

SCHEMBL3736952

C[C@@H](Oc1cc(-n2cnc3cnc(CN4CCN(CCO)CC4)cc32)sc1C(N)=O)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.64
PLK3 Q9H4B4 14/20 0.64
CDK2 P24941 1/20 0.64
IKBKE Q14164 1/20 0.64
CYP3A4 P08684 5/20 0.63
CYP2C9 P11712 4/20 0.63
PIK3CD O00329 1/20 0.61
NUAK1 O60285 1/20 0.61
PDGFRB P09619 1/20 0.61
PIM1 P11309 1/20 0.61
KDR P35968 1/20 0.61
NEK2 P51955 1/20 0.61

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
SCHEMBL3739975 0.94 PLK1 (0.68) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3736451 0.93 PLK1 (0.67) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3745015 0.93 PLK1 (0.66) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3738033 0.92 PLK1 (0.65) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3737818 0.92 PLK1 (0.53) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3740923 0.92 PLK1 (0.58) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3735192 0.91 PLK1 (0.64) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3735463 0.90 PLK1 (0.73) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3741296 0.89 PLK1 (0.65) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3742954 0.88 PLK1 (0.73) PLK1PLK3CDK2IKBKECYP3A4

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-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 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-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B PLK1 642/4885PLK3 1528/4885CDK2 479/4885

“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.