SCHEMBL8889650

SCHEMBL8889650

COCCOc1ccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 9/20 0.76
NPY5R Q15761 3/20 0.56
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SLC2A1 P11166 1/20 0.49
EGFR P00533 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
PDE5A O76074 1/20 0.47
ACP1 P24666 1/20 0.47

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
SCHEMBL30896198 1.00 MERTK (0.76) MERTKNPY5RNPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8891541 0.99 MERTK (0.74) MERTKNPY5RNPC1ALDH1A1MAPT
SCHEMBL27223332 0.89 MERTK (0.63) MERTKNPY5RALDH1A1MAPTMAPK1
SCHEMBL8889429 0.88 MERTK (0.69) MERTKNPY5RNPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8911047 0.87 MERTK (0.68) MERTKNPY5RNPC1ALDH1A1MAPT
SCHEMBL8891059 0.85 MERTK (0.66) MERTKNPY5RNPC1ALDH1A1MAPT
SCHEMBL8892661 0.85 MERTK (0.56) MERTKKMT2ABLMEGFRMEN1
Hydrochloric Acid SCHEMBL8909111 0.85 MERTK (0.64) MERTKNPY5RNPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8890483 0.84 MERTK (0.56) MERTKKMT2ABLMEGFRMEN1
SCHEMBL14256556 0.83 MERTK (0.81) MERTKNPY5RPDE5AACP1OGG1

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
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed
US-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease UNIV JEFFERSON (US) 2024-05-23 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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease ADRB2, ADRB1, ADRB3 MERTK 3423/4885NPY5R 2011/4885NPC1 953/4885

“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.