SCHEMBL7127547

SCHEMBL7127547

Cc1ncc(-c2cccc(Nc3ncc4c(n3)Cc3ccccc3-4)c2)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GRM5 P41594 4/20 0.40
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTK2 Q05397 1/20 0.38
SYK P43405 1/20 0.38
TTK P33981 3/20 0.38
AXL P30530 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
MAOB P27338 1/20 0.36
IGF1R P08069 1/20 0.36

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 0.82 IKBKB (0.49) CCNA2CDK2CDK1CCNB1IGF1R
SCHEMBL7121394 0.80 CDK5 (0.64) CCNA2CDK2CDK5CDK5R1CDK1
SCHEMBL7128258 0.74 NPC1 (0.39) CDK2CDK1CCNB1NPC1ALDH1A1
SCHEMBL7128029 0.73 IGF1R (0.48) CCNA2CDK2CDK5CDK5R1CDK1
SCHEMBL7126117 0.71 RIPK2 (0.41) TTKAXLTYRO3MERTKSRC
SCHEMBL7120305 0.68 KDR (0.60) SRC
SCHEMBL7121414 0.67 TP53 (0.57) USP2ALDH1A1
SCHEMBL7128067 0.67 ALDH1A1 (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2TTK
SCHEMBL7129837 0.66 ALDH1A1 (0.41) CDK2CDK1NPC1ALDH1A1RAB9A
SCHEMBL7127650 0.65 MAPT (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2TTK

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 CCNA2 105/4885CDK2 195/4885CDK5 2255/4885

“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.