SCHEMBL7129837

SCHEMBL7129837

Cc1ncc(-c2cccc(Nc3ncc4ccccn34)c2)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CHEK1 O14757 1/20 0.41
LIMK1 P53667 1/20 0.41
MAPK14 Q16539 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BACE1 P56817 1/20 0.41
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP1B3 P54709 1/20 0.39
FXYD2 P54710 1/20 0.39
ATP1A4 Q13733 1/20 0.39
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
RAB9A P51151 3/20 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
SCHEMBL7124256 0.72 TTK (0.36) MAPTATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL7120305 0.72 KDR (0.60) CHEK1KDR
SCHEMBL7121414 0.71 TP53 (0.57) ALDH1A1MAPTBACE1MEN1KMT2A
SCHEMBL7160086 0.71 RIPK2 (0.41) ALDH1A1KDM4EATP1A1ATP1B1ATP1A3
SCHEMBL7127543 0.70 KDR (0.54) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL7127650 0.70 MAPT (0.46) ALDH1A1MAPTKDM4ERAB9AHPGD
SCHEMBL7117958 0.69 MAPT (0.60) ALDH1A1MAPTKDM4EBACE1CDK2
SCHEMBL7124246 0.69 RIPK2 (0.43) ALDH1A1MAPTKDM4EATP1A1ATP1B1
SCHEMBL7984129 0.69 FGFR3 (0.42) CDK2DYRK1AGSK3BWNT1FGFR3
SCHEMBL7121296 0.69 CYP1A2 (0.50) ALDH1A1KDM4EDYRK1AGSK3BWNT1

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 ALDH1A1 2482/4885MAPT 3896/4885KDM4E 2224/4885

“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.