SCHEMBL7128029

SCHEMBL7128029

COc1cccc2c1CCc1cnc(Nc3cccc(-c4cnc(C)n4C)c3)nc1-2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.48
CCNA2 P20248 4/20 0.47
CDK2 P24941 4/20 0.47
AURKA O14965 3/20 0.47
PLK1 P53350 3/20 0.47
CCNA1 P78396 3/20 0.47
KDR P35968 6/20 0.44
TTK P33981 3/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
PLK2 Q9NYY3 1/20 0.41
CDK1 P06493 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
SCHEMBL7125143 0.86 IKBKB (0.49) IGF1RCCNA2CDK2KDRCDK1
SCHEMBL7239285 0.78 KDR (0.63) IGF1RPLK1KDR
SCHEMBL7127974 0.78 IGF1R (0.52) IGF1RCCNA2CDK2AURKAPLK1
SCHEMBL7511692 0.78 IGF1R (0.48) IGF1RCCNA2CDK2AURKAPLK1
Hydrochloric Acid SCHEMBL7518134 0.77 KDR (0.62) IGF1RPLK1KDR
Hydrochloric Acid SCHEMBL7517919 0.77 IGF1R (0.47) IGF1RCCNA2CDK2AURKAPLK1
SCHEMBL7510711 0.76 KDR (0.55) IGF1RCCNA2CDK2AURKAPLK1
SCHEMBL7124250 0.75 ABL1 (0.48) IGF1RCCNA2CDK2AURKAPLK1
Hydrochloric Acid SCHEMBL7512667 0.75 KDR (0.54) IGF1RCCNA2CDK2AURKAPLK1
SCHEMBL7510604 0.75 KDR (0.52) IGF1RCCNA2CDK2AURKAPLK1

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 IGF1R 2519/4885CCNA2 105/4885CDK2 195/4885

“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.