Sugi Predict

Sugi Predict / Compounds / SCHEMBL614951

SCHEMBL614951

SCHEMBL614951

Cc1nc2cc(N)ccc2n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ HTT P42858 2/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.62
▸ KDM4E B2RXH2 5/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPC1 O15118 3/20 0.57
▸ RAD52 P43351 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ HPGD P15428 1/20 0.44

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
SCHEMBL31474849 0.90 ALDH1A1 (0.82) ALDH1A1HTTMAPK1HSD17B10KDM4E
SCHEMBL6229878 0.83 ALDH1A1 (0.71) ALDH1A1HTTMAPK1HSD17B10KDM4E
SCHEMBL1104823 0.83 ALDH1A1 (0.71) ALDH1A1HTTMAPK1HSD17B10KDM4E
SCHEMBL14000394 0.83 ALDH1A1 (0.70) ALDH1A1HTTMAPK1HSD17B10KDM4E
SCHEMBL13916684 0.83 HTT (0.72) ALDH1A1HTTMAPK1HSD17B10KDM4E
SCHEMBL2326728 0.83 ALDH1A1 (0.70) ALDH1A1HTTMAPK1HSD17B10KDM4E
SCHEMBL11441705 0.81 ALDH1A1 (0.68) ALDH1A1HTTMAPK1HSD17B10KDM4E
SCHEMBL13916683 0.81 HTT (0.70) ALDH1A1HTTMAPK1HSD17B10KDM4E
SCHEMBL28575955 0.81 ALDH1A1 (0.68) ALDH1A1HTTMAPK1HSD17B10KDM4E
SCHEMBL30195252 0.81 ALDH1A1 (0.68) ALDH1A1HTTMAPK1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 — — US disclosed
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 — — US disclosed
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 — — US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 — — US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 — — US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 — — US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 — — US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 — — US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 — — US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 — — US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 — — US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 — — US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 — — US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 — — US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 — — US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 — — EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 — — US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 — — WO 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 (4 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-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 ALDH1A1 236/4885HTT 4116/4885MAPK1 2193/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 ALDH1A1 1319/4885HTT 3139/4885MAPK1 2314/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 ALDH1A1 1319/4885HTT 3139/4885MAPK1 2314/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 ALDH1A1 553/4885HTT 3836/4885MAPK1 2333/4885

“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.