SCHEMBL477393

SCHEMBL477393

OC(c1ccccc1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
CYP17A1 P05093 1/20 0.68
CFTR P13569 2/20 0.63
GOPC Q9HD26 2/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
SLC6A3 Q01959 1/20 0.63
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.58
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KCNA5 P22460 5/20 0.50
KCNN4 O15554 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TBXAS1 P24557 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL28001042 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL30476552 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL30476558 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL477633 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL1242879 0.93 SMN1; SMN2 (0.87) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL10968928 0.91 SMN1; SMN2 (0.82) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL18228789 0.89 SMN1; SMN2 (0.81) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL11605250 0.86 SMN1; SMN2 (0.74) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL11062714 0.86 CYP17A1 (0.90) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL2908868 0.84 SMN1; SMN2 (0.72) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104342464-A Method for producing chiral phenyl methanol employing catalysis of tarlaromyces flavus UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-02-11 CN claimed
CN-101023064-B Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors PFIZER 2011-02-16 CN claimed
CN-101023064-A Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMA (US) 2007-08-22 CN claimed
CN-115413657-B Application of cinnamic acid derivative in mosquito control 深圳市纬信科技有限公司 2024-11-01 CN disclosed
CN-115124528-B Pyrrolopyridine compound, and preparation method and medical application thereof 徐州医科大学 2023-10-27 CN disclosed
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
CN-115413657-A Application of cinnamic acid derivative in mosquito control 五邑大学 2022-12-02 CN disclosed
EP-3856186-A1 SMALL MOLECULE INHIBITORS OF DYRK1/CLK AND USES THEREOF Arizona Board of Regents on behalf of the University of Arizona (US) 2021-08-04 EP disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
US-4985447-A USEFUL FOR TREATMENT AND PREVENTION OF DISEASES DUE TO DYSFUNCTION OF HEART, BRAIN, LUNG AND KIDNEY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed
US-4851413-A TREATMENT OF HEART, BRAIN, LUNG OR KIDNEY DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
CN-87100723-A Quinone derivative, their preparation and use 1987-09-16 CN disclosed
EP-0234729-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-02 EP disclosed
EP-0148826-A1 FUNGICIDAL, HERBICIDAL AND PLANT GROWTH REGULATING PYRIDYL-CONTAINING ETHERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1985-07-24 EP disclosed
WO-1985000289-A1 FUNGICIDAL, HERBICIDAL AND PLANT GROWTH REGULATING PYRIDYL-CONTAINING ETHERS CHEVRON RESEARCH COMPANY (US) 1985-01-31 WO disclosed
US-4407806-A PRE- AND POSTEMERGENCE HERBICIDES CHEVRON RESEARCH COMPANY (US) 1983-10-04 US disclosed
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 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 (3 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-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 SMN1; SMN2 4325/4885CYP17A1 1360/4885CFTR 3434/4885
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 SMN1; SMN2 4325/4885CYP17A1 1360/4885CFTR 3434/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SMN1; SMN2 2483/4885CYP17A1 950/4885CFTR 68/4885

“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.