SCHEMBL7121283

SCHEMBL7121283

Cc1ncn(-c2cccc(-c3nc(N)sc3-c3ccccc3)c2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
MAPT P10636 5/20 0.55
MAPK1 P28482 3/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 4/20 0.48
CYP3A4 P08684 2/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
XBP1 P17861 1/20 0.44
PKM P14618 2/20 0.42
HTT P42858 1/20 0.42
FBP1 P09467 4/20 0.39
HSD17B10 Q99714 4/20 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
SCHEMBL234287 0.72 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL6757787 0.71 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL22510633 0.70 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL21484686 0.70 MAPT (0.87) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL8067428 0.70 MAPT (0.87) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL18862294 0.69 ALDH1A1 (0.68) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL1747883 0.67 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL13741468 0.67 ALDH1A1 (0.64) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL6280916 0.67 MAPK14 (0.67) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL22114467 0.67 FGFR1 (0.59) ALDH1A1MAPTMAPK1LMNACYP1A2

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 ALDH1A1 2482/4885MAPT 3896/4885MAPK1 2263/4885

“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.