SCHEMBL7128511

SCHEMBL7128511

Cc1ncn(-c2cccc(Nc3nc4c(s3)-c3ccccc3CC4)c2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 18/20 0.38
CDK2 P24941 18/20 0.38
CDK9 P50750 18/20 0.38
CDK1 P06493 10/20 0.38
CCNB1 P14635 10/20 0.38
CDK7 P50613 10/20 0.38
CCNH P51946 10/20 0.38
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
CCNE1 P24864 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
CCNA2 P20248 15/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL7127041 0.91 CCNT1 (0.36) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL7128258 0.76 NPC1 (0.39) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL7115935 0.74 DYRK1A (0.40) ALDH1A1MAPT
SCHEMBL7119144 0.71 KDR (0.58) CDK7
SCHEMBL7128014 0.70 RAB9A (0.45) NPC1ALDH1A1LMNAGAARAB9A
SCHEMBL24287372 0.64 TYMS (0.51) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL7128457 0.64 RAB9A (0.38) CDK7NPC1ALDH1A1LMNAGAA
SCHEMBL4515568 0.62 CA2 (0.39) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL22510633 0.61 ALDH1A1 (0.63) ALDH1A1MEN1KMT2A
SCHEMBL7126625 0.60 EGFR (0.37) NPC1LMNARAB9AMEN1TP53

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 1 patent. 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

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 CCNT1 414/4885CDK2 195/4885CDK9 1087/4885

“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.