SCHEMBL7127041

SCHEMBL7127041

Cc1ncn(-c2cccc(Nc3nc4c(s3)-c3ccccc3C4)c2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.36
CCNA2 P20248 15/20 0.36
CDK2 P24941 15/20 0.36
CDK9 P50750 15/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
CDK1 P06493 8/20 0.35
CCNB1 P14635 8/20 0.35
CDK7 P50613 8/20 0.35
CCNH P51946 8/20 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
SCHEMBL7128511 0.91 CCNT1 (0.38) CCNT1CCNA2CDK2CDK9ALDH1A1
SCHEMBL7128014 0.71 RAB9A (0.45) ALDH1A1GAANPC1LMNARAB9A
SCHEMBL7128258 0.67 NPC1 (0.39) CCNT1CDK2CDK9ALDH1A1GAA
SCHEMBL7125103 0.66 HTR2C (0.45) NPC1RAB9A
SCHEMBL22510633 0.61 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL6756601 0.61 HSP90AA1 (0.38) ALDH1A1NPC1RAB9AMEN1NFKB1
SCHEMBL7126625 0.61 EGFR (0.37) NPC1LMNARAB9AMEN1TP53
SCHEMBL22114469 0.61 FGFR1 (0.57) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL6757787 0.60 ALDH1A1 (0.49) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL7121283 0.60 ALDH1A1 (0.55) ALDH1A1GAALMNAMEN1MAPT

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 414/4885CCNA2 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.