SCHEMBL3741864

SCHEMBL3741864

C[C@@H](Oc1cc(-n2cnc3cnc(CO)cc32)sc1C(N)=O)c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.60
PLK3 Q9H4B4 13/20 0.60
CDK2 P24941 1/20 0.60
IKBKE Q14164 1/20 0.60
CYP2C9 P11712 1/20 0.54

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
SCHEMBL3740997 0.94 PLK1 (0.59) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3736969 0.92 PLK1 (0.60) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3742954 0.91 PLK1 (0.73) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3732417 0.91 PLK1 (0.59) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3737966 0.90 PLK1 (0.74) PLK1PLK3CYP2C9
SCHEMBL3741480 0.90 PLK1 (0.74) PLK1PLK3CYP2C9
SCHEMBL3737290 0.90 PLK1 (0.74) PLK1PLK3CYP2C9
SCHEMBL3749457 0.89 PLK1 (0.56) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3745101 0.89 PLK1 (0.56) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3931897 0.89 PLK1 (0.63) PLK1PLK3CDK2IKBKECYP2C9

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 3 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
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 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-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.