SCHEMBL4891772

SCHEMBL4891772

CCOC(OCC)c1nc2ncccc2n1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
BACE1 P56817 1/20 0.38
NPY5R Q15761 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RPS6KA5 O75582 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
MAPK14 Q16539 1/20 0.32

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
SCHEMBL4778254 0.85 S1PR1 (0.38) S1PR1BACE1KMT2ANPC1RAB9A
SCHEMBL9977870 0.83 CYP1A2 (0.39) S1PR1BACE1NPSR1KMT2ANPC1
SCHEMBL19863784 0.79 NPSR1 (0.58) S1PR1NPSR1KMT2AALDH1A1CYP1A2
SCHEMBL13497675 0.79 S1PR1 (0.53) S1PR1BACE1NPY5RNPSR1KMT2A
SCHEMBL25171851 0.71 CYP1A2 (0.59) S1PR1BACE1NPY5RKMT2ANPC1
SCHEMBL22090002 0.71 KMT2A (0.42) S1PR1BACE1NPY5RKMT2ANPC1
Hydrochloric Acid SCHEMBL31258765 0.70 CYP1A2 (0.57) S1PR1BACE1NPY5RKMT2ANPC1
Hydrochloric Acid SCHEMBL25167011 0.70 CYP1A2 (0.57) S1PR1BACE1NPY5RKMT2ANPC1
SCHEMBL14336554 0.69 S1PR1 (0.41) S1PR1BACE1NPY5RNPSR1KMT2A
SCHEMBL4891923 0.68 LMNA (0.47) S1PR1KMT2ANPC1RAB9AALDH1A1

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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 S1PR1 3106/4885BACE1 4489/4885NPY5R 1231/4885

“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.