SCHEMBL2667322

SCHEMBL2667322

CC(C)Sc1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ ACHE P22303 5/20 0.43
▸ MAP1LC3B Q9GZQ8 1/20 0.42
▸ MAP1LC3A Q9H492 1/20 0.42
▸ ADRB1 P08588 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ TSHR P16473 3/20 0.39

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
SCHEMBL15659421 0.80 ACHE (0.42) ALDH1A1CYP3A4CA12CA2CA9
SCHEMBL13562371 0.76 ACHE (0.48) ALDH1A1CYP3A4ACHECYP2C9TDP1
SCHEMBL22714422 0.75 MTNR1A (0.42) CA12CA2CA9LMNAHSD17B1
SCHEMBL30357035 0.75 — —
SCHEMBL3059745 0.75 — —
SCHEMBL18720480 0.74 HDAC4 (0.42) ALDH1A1CYP3A4CA2CA9LMNA
SCHEMBL3480429 0.74 AR (0.36) MAP1LC3BMAP1LC3AAPPAR
SCHEMBL3093787 0.74 MAOA (0.55) ALDH1A1CA2CA9LMNACA1
SCHEMBL925856 0.74 CYP3A4 (0.46) ALDH1A1CYP3A4CA12CA2CA9
SCHEMBL12125560 0.74 GRM5 (0.49) ALDH1A1CYP3A4LMNATSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 — — US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 — — US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 — — US disclosed
US-9777024-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2017-10-03 — — US disclosed
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 — — US disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 — — US disclosed
US-8354540-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2013-01-15 — — US disclosed
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2011-11-17 — — US disclosed
US-8022223-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 — — US disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 — — US disclosed
WO-2007117381-A9 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2008-03-27 — — WO disclosed
WO-2007117381-A2 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-10-18 — — WO disclosed
US-4243681-A VASODILATION, ANTISPASMODIC AGENTS; ANTICOAGULANTS MEAD JOHNSON & COMPANY (US) 1981-01-06 — — 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 (6 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-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885CYP3A4 248/4885CA12 4352/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885CYP3A4 248/4885CA12 4352/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885CYP3A4 248/4885CA12 4352/4885
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, PRKCSH ALDH1A1 649/4885CYP3A4 1080/4885CA12 4774/4885
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 ALDH1A1 1205/4885CYP3A4 2186/4885CA12 4739/4885
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 ALDH1A1 1205/4885CYP3A4 2186/4885CA12 4739/4885

“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.

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