SCHEMBL320526

SCHEMBL320526

c1cncc(-c2ccncc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.79
CYP3A4 P08684 3/20 0.79
ALDH1A1 P00352 2/20 0.79
CYP1A2 P05177 1/20 0.79
NOTUM Q6P988 1/20 0.62
CYP2C9 P11712 2/20 0.59
CYP2B6 P20813 2/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MKNK1 Q9BUB5 4/20 0.57
MKNK2 Q9HBH9 4/20 0.57
KIF11 P52732 1/20 0.57

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
SCHEMBL29626674 1.00 CYP2A6 (0.79) CYP2A6CYP3A4ALDH1A1CYP1A2NOTUM
Hydrochloric Acid SCHEMBL4879355 0.97 CYP2A6 (0.75) CYP2A6CYP3A4ALDH1A1CYP1A2NOTUM
Ammonia Solution, Strong SCHEMBL11970110 0.97 CYP2A6 (0.75) CYP2A6CYP3A4ALDH1A1CYP1A2NOTUM
SCHEMBL12070033 0.93 CYP2A6 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2NOTUM
SCHEMBL12068188 0.93 CYP2A6 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2NOTUM
SCHEMBL19817613 0.91 CYP2A6 (0.65) CYP2A6CYP3A4ALDH1A1CYP1A2NOTUM
SCHEMBL24534338 0.89 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL13907273 0.89 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL11577671 0.89 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL29360677 0.89 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US claimed
US-12162813-B2 Process for preparing 3,3,3-trifluoroprop-1-ene THE CHEMOURS COMPANY FC, LLC (US) 2024-12-10 US claimed
EP-3792256-B1 PYRIDINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2024-10-23 EP claimed
CN-116082310-B Bipyridine amide derivative, and preparation and application thereof 厦门大学 2024-08-20 CN claimed
EP-3842476-B1 POLYMER, COMPOSITION, ELECTROCHROMIC ELEMENT, DIMMING DEVICE, AND DISPLAY DEVICE NAT INST MATERIALS SCIENCE (JP) 2024-02-28 EP claimed
US-20230406790-A1 PROCESS FOR PREPARING 3,3,3-TRIFLUOROPROP-1-ENE THE CHEMOURS COMPANY FC, LLC. (US) 2023-12-21 US claimed
CN-116082310-A Bipyridine amide derivative, and preparation and application thereof 厦门大学 2023-05-09 CN claimed
EP-3707143-B9 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2023-04-12 EP claimed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US claimed
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 EP claimed
EP-0981549-B2 USE OF AN INHIBITOR SUBSTANCE FOR THE IMPROVEMENT OF NEURONAL REGENERATION NEURAXO BIOPHARMACEUTICALS GMB (DE) 2007-06-27 EP claimed
WO-2007048846-A1 USE OF IRON-CHELATING COMPOUNDS, CYCLIC ADENOSINE MONOPHOSPHATE-INCREASING COMPOUNDS OR COMBINATIONS THEREOF FOR TREATING AXONAL LESIONS IN THE CNS NEURAXO BIOPHARMACEUTICALS GMBH (DE) 2007-05-03 WO claimed
EP-1466593-A1 Biodegradable injectable implant MCS Micro Carrier Systems GmbH (DE) 2004-10-13 EP claimed
EP-0981549-B1 USE OF AN INHIBITOR SUBSTANCE FOR THE IMPROVEMENT OF NEURONAL REGENERATION NEURAXO BIOTEC GMBH (DE) 2002-09-25 EP claimed
US-20020115598-A1 METHOD FOR THE IMPROVEMENT OF NEURONAL REGENERATION NEURAXO-BIOTEC GMBH (DE) 2002-08-22 US claimed
EP-0981549-A1 A METHOD FOR THE IMPROVEMENT OF NEURONAL REGENERATION Müller, H.W., Prof. Dr. (DE) 2000-03-01 EP claimed
WO-1998051708-A1 A METHOD FOR THE IMPROVEMENT OF NEURONAL REGENERATION MUELLER H W (DE) 1998-11-19 WO claimed
EP-0878480-A1 A method for the improvement of neuronal regeneration Müller, H.W., Prof. Dr. (DE) 1998-11-18 EP claimed
US-4061638-A Organocalciumpyridine-type polymerization initiators PHILLIPS PETROLEUM COMPANY (US) 1977-12-06 US claimed
US-3997708-A ADDITION PHILLIPS PETROLEUM COMPANY (US) 1976-12-14 US 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-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC CYP2A6 2250/4885CYP3A4 1547/4885ALDH1A1 3115/4885
US-12162813-B2 Process for preparing 3,3,3-trifluoroprop-1-ene SULT1E1, FIP1L1, GTF3C3 CYP2A6 872/4885CYP3A4 245/4885ALDH1A1 758/4885
US-20230406790-A1 PROCESS FOR PREPARING 3,3,3-TRIFLUOROPROP-1-ENE SULT1E1, FIP1L1, GTF3C3 CYP2A6 872/4885CYP3A4 245/4885ALDH1A1 758/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC CYP2A6 2250/4885CYP3A4 1547/4885ALDH1A1 3115/4885

“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.