SCHEMBL9375733

SCHEMBL9375733

c1ccc2c(c1)NCc1cncn1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.45
GABRA5 P31644 4/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
HSD17B3 P37058 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
BRD4 O60885 1/20 0.36
TDO2 P48775 1/20 0.35
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL7452911 0.78 GABRA5 (0.47) BRPF1GABRA5GABRG2GABRB3IDO1
SCHEMBL2731241 0.73 BRPF1 (0.44) BRPF1HSD17B3SIRT6BRD4PTPN1
SCHEMBL30963678 0.73 BRPF1 (0.44) BRPF1HSD17B3SIRT6BRD4PTPN1
SCHEMBL20677715 0.69 GABRA5 (0.59) GABRA5GABRG2GABRB3TDO2MEN1
SCHEMBL29821241 0.69 BRPF1 (0.41) BRPF1HSD17B3SIRT6BRD4MEN1
SCHEMBL11570160 0.69 TDO2 (0.35) GABRA5GABRG2GABRB3SIRT6TDO2
SCHEMBL9391482 0.69 BRPF1 (0.41) BRPF1HSD17B3SIRT6BRD4MEN1
SCHEMBL87771 0.68 GABRG2 (0.40) GABRA5GABRG2GABRB3
SCHEMBL14511561 0.67 BRPF1 (0.42) BRPF1HSD17B3SIRT6BRD4PTPN1
SCHEMBL3959344 0.66 GABRG2 (0.44) GABRA5GABRG2GABRB3HSD17B3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070098631-A2 DIAGNOSTIC COMPOUNDS COMPRISING A SCAFFOLD COUPLED TO A SIGNAL ENTITY FOR MEDICAL IMAGING DIAGNOSTIC GUERBET (FR) 2007-05-03 US disclosed
US-20070098631-A2 DIAGNOSTIC COMPOUNDS COMPRISING A SCAFFOLD COUPLED TO A SIGNAL ENTITY FOR MEDICAL IMAGING DIAGNOSTIC GUERBET (FR) 2007-05-03 US disclosed
EP-0590022-A1 IMIDAZO 1,5-a]QUINOXALINES PHARMACIA & UPJOHN COMPANY (US) 1994-04-06 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 (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-20070098631-A2 DIAGNOSTIC COMPOUNDS COMPRISING A SCAFFOLD COUPLED TO A SIGNAL ENTITY FOR MEDICAL IMAGING DIAGNOSTIC HTR3D, BRD4, CNR1 BRPF1 2273/4885GABRA5 64/4885GABRG2 564/4885

“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.