SCHEMBL4371528

SCHEMBL4371528

COc1ccc2nc(C)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 2/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 5/20 0.59
NPC1 O15118 4/20 0.59
HPGD P15428 4/20 0.59
TP53 P04637 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
CYP1A2 P05177 7/20 0.58
CYP2E1 P05181 7/20 0.58
CYP3A4 P08684 7/20 0.58
CYP2C8 P10632 7/20 0.58
CYP2D6 P10635 7/20 0.58
CYP2C9 P11712 7/20 0.58
CYP2B6 P20813 7/20 0.58

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
SCHEMBL29439014 1.00 KDM4E (0.61) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL12909159 0.86 NPC1 (0.54) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL30572581 0.86 NPC1 (0.54) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL21905237 0.86 NPC1 (0.54) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL1286065 0.85 KDM4E (0.57) KDM4EHSD17B10LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL31587365 0.84 KDM4E (0.55) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL30572566 0.81 DHODH (0.61) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL21905344 0.81 DHODH (0.61) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL12909170 0.81 ALDH1A1 (0.62) KDM4EHSD17B10LMNAALDH1A1NPC1
SCHEMBL16307902 0.80 CBFB (0.52) KDM4EHSD17B10LMNAALDH1A1NPC1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 US disclosed
EP-4125861-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS The Regents of the University of California (US) 2023-02-08 EP disclosed
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-12-09 US disclosed
WO-2021203016-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-07 WO disclosed
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
CN-110305064-A Sulphonyl azole compounds of ethoxy bridging and its preparation method and application 西南大学 2019-10-08 CN disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
WO-2019157458-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2019-08-15 WO disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
EP-1301517-B1 THIENOPYRROLIDINONES HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
EP-1301517-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-6528653-B2 E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders HOFFMANN-LA ROCHE, INC. 2003-03-04 US disclosed
US-20020028841-A1 Thienopyrrolidinones F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 US disclosed
WO-2002002567-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 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 (5 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-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 KDM4E 4585/4885HSD17B10 966/4885LMNA 2021/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885HSD17B10 3219/4885LMNA 2613/4885
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 KDM4E 3796/4885HSD17B10 2477/4885LMNA 2827/4885
US-20020028841-A1 Thienopyrrolidinones TNF, TYMP, TNFRSF1A KDM4E 3394/4885HSD17B10 3337/4885LMNA 3158/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885HSD17B10 3219/4885LMNA 2613/4885

“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.