SCHEMBL7127650

SCHEMBL7127650

Cc1ncc(-c2cccc(Nc3nnc(Cl)c4ccccc34)c2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PDE5A O76074 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE1C Q14123 1/20 0.46
PDE3A Q14432 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7127543 0.82 KDR (0.54) ALDH1A1NPC1RAB9AKMT2AKDR
SCHEMBL7127458 0.82 ALDH1A1 (0.42) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7128067 0.81 ALDH1A1 (0.43) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7128079 0.79 KDR (0.52) KMT2ADYRK1AGSK3BKDR
SCHEMBL7124246 0.77 RIPK2 (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL7120296 0.77 RIPK2 (0.41) MAPTALDH1A1SMN1; SMN2CYP1A2NPC1
SCHEMBL7160086 0.74 RIPK2 (0.41) ALDH1A1KDM4ENPC1RAB9ARIPK2
SCHEMBL7125034 0.74 RIPK2 (0.42) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL7119929 0.73 RIPK2 (0.39) MAPTRIPK2TTKDYRK1ATP53
SCHEMBL7128105 0.73 BTK (0.39) MAPTALDH1A1HPGDSMN1; SMN2KDM4E

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 MAPT 3896/4885ALDH1A1 2482/4885HPGD 328/4885

“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.