SCHEMBL37900

SCHEMBL37900

O=C1CNc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
PDK2 Q15119 1/20 0.50
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
NPC1 O15118 1/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BRD4 O60885 6/20 0.47
CREBBP Q92793 6/20 0.47
EP300 Q09472 1/20 0.47
MAPT P10636 1/20 0.45
PLCG1 P19174 1/20 0.44
ALDH1A1 P00352 2/20 0.43
BRPF1 P55201 1/20 0.42
PDGFRA P16234 1/20 0.41
FER P16591 1/20 0.41

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
SCHEMBL29483964 1.00 AHR (0.50) AHRPDK2CYP11B1CYP11B2NPC1
Pyrimidine SCHEMBL25415124 0.88 CYP11B1 (0.53) AHRPDK2CYP11B1CYP11B2NPC1
SCHEMBL9025284 0.79 PDGFRA (0.55) AHRPDK2MAPTALDH1A1PDGFRA
SCHEMBL7689857 0.79 CYP11B1 (0.51) AHRPDK2CYP11B1CYP11B2NPC1
SCHEMBL2449133 0.79 LRRK2 (0.55) AHRPDK2CYP11B1CYP11B2NPC1
SCHEMBL30336371 0.79 LRRK2 (0.55) AHRPDK2CYP11B1CYP11B2NPC1
SCHEMBL4071447 0.77 NPC1 (0.55) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL1235044 0.77 AHR (0.70) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL6379887 0.77 AHR (0.70) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL8805855 0.77 BRPF1 (0.47) AHRPDK2NPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230258569-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION FUJIFILM CORPORATION (JP) 2023-08-17 US claimed
EP-3018206-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-08-11 EP claimed
CN-111689912-A 3, 4-dihydro-2 (1H) -quinoxalinone compound and preparation method thereof 郑州大学 2020-09-22 CN claimed
US-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US claimed
WO-2013126156-A1 NITRIC OXIDE DONATING SELECTIVE GLUCOCORTICOID RECEPTOR AGONIST COMPOUNDS AND OPHTHALMIC COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2013-08-29 WO claimed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP claimed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO claimed
EP-2203160-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY Bausch & Lomb Incorporated (US) 2010-07-07 EP claimed
JP-2010502723-A 2010-01-28 JP claimed
JP-2010502635-A 2010-01-28 JP claimed
WO-2004087933-A2 A NOVEL ENCODING METHOD FOR 'ONE-BEAD ONE-COMPOUND' COMBINATORIAL LIBRARIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-10-14 WO claimed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US claimed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO claimed
EP-1353694-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS Schering Corporation (US) 2003-10-22 EP claimed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 US claimed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 US claimed
WO-2002058734-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO claimed
EP-0322401-B1 TETRAHYDROPHTHALIMIDE DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP claimed
EP-0029088-A2 Synthesis of 2-keto-1,4-diazacycloalkanes The B.F. GOODRICH Company (US) 1981-05-27 EP claimed
EP-0001559-A2 Synthesis of 2-keto-1,4-diazacycloalkanes The B.F. GOODRICH Company (US) 1979-05-02 EP claimed

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-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 AHR 389/4885PDK2 2755/4885CYP11B1 1866/4885
US-20230258569-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION TST, CUTA, HNMT AHR 104/4885PDK2 3789/4885CYP11B1 2515/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R AHR 824/4885PDK2 4056/4885CYP11B1 10/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 AHR 3097/4885PDK2 3902/4885CYP11B1 37/4885

“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.