SCHEMBL7499251

SCHEMBL7499251

O=c1[nH]c2cccnc2n1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
DAO P14920 1/20 0.55
PNP P00491 1/20 0.54
ADORA3 P0DMS8 2/20 0.51
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
BRD4 O60885 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ATM Q13315 1/20 0.49
USP1 O94782 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47

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
SCHEMBL17966780 0.88 TP53 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2DAO
SCHEMBL30532156 0.85 PTGDR2 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2DAO
SCHEMBL29722691 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDDAOHTT
SCHEMBL24312042 0.81 DAO (0.58) KDM4EALDH1A1HPGDSMN1; SMN2DAO
SCHEMBL30532180 0.80 GRIN1 (0.50) KDM4EHPGDDAOADORA3HTT
SCHEMBL30532147 0.80 GRIN1 (0.50) DAO
SCHEMBL9981108 0.80 DAO (0.58) KDM4EALDH1A1HPGDSMN1; SMN2DAO
Hydrochloric Acid SCHEMBL10479206 0.79 DAO (0.53) KDM4EALDH1A1HPGDSMN1; SMN2DAO
SCHEMBL30615639 0.79 POLB (0.58) ALDH1A1SMN1; SMN2DAOLMNAMEN1
SCHEMBL3535042 0.78 HDAC1 (0.73)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 EP disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
EP-1077967-B1 BIPHENYL OXO-ACETIC ACIDS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA WYETH CORP (US) 2002-12-04 EP disclosed
US-6391897-B2 (4'-BENZOFURAN-3-YL-BIPHENYL-4-YLOXY)-ACETIC ACID, FOR EXAMPLE; INHIBIT PROTEIN-TYROSINE PHOSPHATASES (PTPASES) AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
US-6369072-B2 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PRODUCTS CORPORATION 2002-04-09 US disclosed
US-20010053785-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia WYETH 2001-12-20 US disclosed
US-20010041715-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PRODUCTS 2001-11-15 US disclosed
US-6232322-B1 SUCH AS (4'-BENZOFURAN-3-YL-BIPHENYL-4-YLOXY)-ACETIC ACID OR SALT AMERICAN HOME PRODUCTS CORPORATION 2001-05-15 US disclosed
EP-1077967-A2 BIPHENYL OXO-ACETIC ACIDS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999058518-A2 BIPHENYL OXO-ACETIC ACIDS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 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-20010053785-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, IAPP KDM4E 2262/4885ALDH1A1 350/4885HPGD 1305/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH KDM4E 4351/4885ALDH1A1 4726/4885HPGD 943/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH KDM4E 4351/4885ALDH1A1 4726/4885HPGD 943/4885
US-20010041715-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, IAPP KDM4E 2262/4885ALDH1A1 350/4885HPGD 1305/4885

“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.