SCHEMBL7121394

SCHEMBL7121394

Cc1ncc(-c2cccc(Nc3ncc4c(n3)CCCCC4)c2)n1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.64
CDK5R1 Q15078 9/20 0.64
CCNA2 P20248 6/20 0.64
CDK2 P24941 6/20 0.64
CDK1 P06493 2/20 0.64
CCNB1 P14635 2/20 0.64
GRM5 P41594 6/20 0.57
MAOB P27338 3/20 0.57
CCNT1 O60563 1/20 0.53
CCNE1 P24864 1/20 0.53
CCND3 P30281 1/20 0.53
FLT3 P36888 1/20 0.53
CDK9 P50750 1/20 0.53
CDK6 Q00534 1/20 0.53
MAOA P21397 1/20 0.41
IGF1R P08069 1/20 0.39
WNT1 P04628 2/20 0.39
GSK3B P49841 2/20 0.39
DYRK1A Q13627 2/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL7127547 0.80 CCNA2 (0.40) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL7125143 0.80 IKBKB (0.49) CCNA2CDK2CDK1CCNB1CCNT1
SCHEMBL7128029 0.75 IGF1R (0.48) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL9960032 0.74 GRM5 (1.00) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL9959836 0.73 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL7128258 0.69 NPC1 (0.39) CDK2CDK1CCNB1CCNT1CCNE1
SCHEMBL7120305 0.67 KDR (0.60)
SCHEMBL7126117 0.66 RIPK2 (0.41) WNT1GSK3BDYRK1A
SCHEMBL7121414 0.66 TP53 (0.57) TP53MAPT
SCHEMBL7121296 0.66 CYP1A2 (0.50) WNT1GSK3BDYRK1A

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 CDK5 2255/4885CDK5R1 2841/4885CCNA2 105/4885

“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.