SCHEMBL5038754

SCHEMBL5038754

C1=C\c2ccc(-c3ccccc3)nc2CNc2ccccc2/1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4B Q07343 1/20 0.33
AURKA O14965 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PRKACA P17612 1/20 0.33
ADORA2A P29274 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
CDC7 O00311 1/20 0.31
CYP1A2 P05177 1/20 0.30
HTR2C P28335 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
SCHEMBL5046225 0.74 GAA (0.43) GAAMAPTHSD17B10CYP1A2
SCHEMBL12376476 0.70 MEN1 (0.43) RAB9AMAPTMEN1KMT2APDE4B
SCHEMBL29749158 0.65 ALOX15 (0.52) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL517634 0.65 ALOX15 (0.52) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL517635 0.65 ALOX15 (0.52) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL5046216 0.65 HSD17B3 (0.42) ALDH1A1
SCHEMBL6137103 0.64 MAPT (0.48) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL11645134 0.61 RAB9A (0.41) RAB9AMAPTMEN1KMT2APDE4B
SCHEMBL3236226 0.60 CYP3A4 (0.57) RAB9AMAPTMEN1KMT2APDE4B
SCHEMBL17667600 0.60 GAA (0.39) GAAMAPTASIC3HSD17B10

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 RAB9A 3055/4885GAA 951/4885MAPT 3282/4885

“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.