SCHEMBL7128258

SCHEMBL7128258

Cc1ncc(-c2cccc(Nc3nc4c(s3)-c3ccccc3CC4)c2)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
CCNT1 O60563 3/20 0.37
CDK1 P06493 3/20 0.37
CDK4 P11802 3/20 0.37
CCNB1 P14635 3/20 0.37
CCND1 P24385 3/20 0.37
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
CDK7 P50613 3/20 0.37
CDK9 P50750 3/20 0.37
CCNH P51946 3/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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 0.78 IKBKB (0.49) LMNAGAACCNT1CDK1CDK4
SCHEMBL7128511 0.76 CCNT1 (0.38) NPC1ALDH1A1LMNAGAARAB9A
SCHEMBL7126117 0.74 RIPK2 (0.41) LMNATTKRIPK2DYRK1AGSK3B
SCHEMBL7120305 0.74 KDR (0.60) CDK7
SCHEMBL7127547 0.74 CCNA2 (0.40) NPC1ALDH1A1RAB9ACDK1CCNB1
SCHEMBL7121394 0.69 CDK5 (0.64) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL7127041 0.67 CCNT1 (0.36) NPC1ALDH1A1LMNAGAARAB9A
SCHEMBL7128029 0.67 IGF1R (0.48) CDK1CDK2TTK
SCHEMBL7126590 0.67 RIPK2 (0.43) NPC1LMNARAB9ATTKRIPK2
SCHEMBL7129837 0.66 ALDH1A1 (0.41) NPC1ALDH1A1GAARAB9ACDK1

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 NPC1 310/4885ALDH1A1 2482/4885LMNA 1315/4885

“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.