SCHEMBL4463957

SCHEMBL4463957

c1ccc(C2=NC(c3ccccc3)(c3ccccc3)CN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 7/20 0.46
NPY5R Q15761 2/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CHRNA7 P36544 1/20 0.34
BACE1 P56817 1/20 0.33
HTR2A P28223 1/20 0.33
NOTUM Q6P988 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
SCHEMBL4459149 0.75 NISCH (0.41) NISCHNPY5RALDH1A1KDM4EBACE1
SCHEMBL4479177 0.75 NPY5R (0.57) NPY5RTSHRALDH1A1CYP1A2HSD17B10
SCHEMBL4468926 0.75 MAOB (0.49) NISCHNPY5RMAPTBACE1
SCHEMBL11827731 0.74 NISCH (0.42) NISCHNPY5RGAATSHRHPGD
SCHEMBL4480647 0.74 MAOB (0.48) NISCHNPY5RTSHRALDH1A1CYP1A2
SCHEMBL4472900 0.73 NPY5R (0.58) NISCHNPY5RALDH1A1CYP1A2MAPT
SCHEMBL4469985 0.71 NPY5R (0.57) NISCHNPY5RALDH1A1KDM4E
SCHEMBL11013264 0.70 BACE1 (0.35) CYP1A2BACE1HTR2A
SCHEMBL4474683 0.68 NPY5R (0.54) NPY5RBACE1
SCHEMBL6591928 0.63 BACE1 (0.61) NPY5RALDH1A1MAPTBACE1HTR2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 US disclosed
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US disclosed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP disclosed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US disclosed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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 (2 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-20060135559-A1 Novel imidazoline compounds GPR119, NPY1R, NPY2R NISCH 4065/4885NPY5R 9/4885GAA 2269/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NISCH 3812/4885NPY5R 4/4885GAA 1710/4885

“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.