SCHEMBL5046225

SCHEMBL5046225

C1=C\c2cccnc2CNc2ccccc2/1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL2044013 0.78
SCHEMBL5038754 0.74 RAB9A (0.36) GAAMAPTHSD17B10CYP1A2
SCHEMBL9407864 0.73 JAK2 (0.45) GAAMAPTALOX15HSD17B10CYP1A2
SCHEMBL1937448 0.73 PARP1 (0.47) PDE3BPDE3A
SCHEMBL517634 0.72 ALOX15 (0.52) GAAMAPTALOX15HSD17B10NPSR1
SCHEMBL517635 0.72 ALOX15 (0.52) GAAMAPTALOX15HSD17B10NPSR1
SCHEMBL29749158 0.72 ALOX15 (0.52) GAAMAPTALOX15HSD17B10NPSR1
SCHEMBL6137103 0.71 MAPT (0.48) GAAMAPTALOX15HSD17B10SMN1; SMN2
SCHEMBL1953522 0.69 CYP11B2 (0.39) CYP1A2
SCHEMBL31095197 0.69 GAA (0.58) GAAMAPTCYP1A2SMN1; SMN2

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-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 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-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B1, HSD17B2 GAA 951/4885MAPT 3282/4885ALOX15 1876/4885

“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.