SCHEMBL438951

SCHEMBL438951

Cc1ccc(-c2cccnc2)cc1-c1ccc(NC(=O)c2c(F)cccc2Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL2 P60568 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
ABCB1 P08183 2/20 0.48
ABCC1 P33527 2/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
WNT3A P56704 1/20 0.45
DEGS1 O15121 1/20 0.44
ABL1 P00519 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
Hydrochloric Acid SCHEMBL450224 0.99 IL2 (0.55) IL2L3MBTL1ABCB1ABCC1JAK2
SCHEMBL449982 0.93 IL2 (0.63) IL2ABCB1ABCC1WNT3ADEGS1
SCHEMBL439102 0.87 ABCB1 (0.49) IL2ABCB1ABCC1WNT3ADEGS1
SCHEMBL11911923 0.83 IL2 (0.65) IL2
SCHEMBL2847557 0.82 ABCB1 (0.58) IL2ABCB1ABCC1WNT3ADEGS1
SCHEMBL2310680 0.81 IL2 (0.54) IL2
SCHEMBL4768204 0.81 IL2 (0.60) IL2ABCB1JAK2JAK1TYK2
SCHEMBL452378 0.80 IL2 (0.66) IL2ABL1
SCHEMBL2305750 0.79 IL2 (0.56) IL2ABL1
SCHEMBL8239294 0.78 IL2 (0.67) IL2L3MBTL1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239819-A Method for preparing 4-halogenated-3-fluorotoluene 沈阳中化农药化工研发有限公司 2024-06-25 CN claimed
CN-117658831-A Preparation method of m-hydroxylamine intermediate 2-amino-1- (3- (benzyloxy) phenyl) propanol 天津科盛医药技术有限公司 2024-03-08 CN claimed
CN-113387903-A Synthesis method of parecoxib sodium impurity 宏冠生物药业有限公司 2021-09-14 CN claimed
CN-112778203-A Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine 兰州交通大学 2021-05-11 CN claimed
CN-111943878-A Benzo beta-lactam and preparation method thereof 兰州交通大学 2020-11-17 CN claimed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US claimed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP claimed
US-20090054527-A1 Administration of capsaicinoids ALGORX (US) 2009-02-26 US claimed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO claimed
EP-1587506-A4 ADMINISTRATION OF CAPSAICINOIDS ALGORX (US) 2006-05-24 EP claimed
EP-1587506-A2 ADMINISTRATION OF CAPSAICINOIDS Algorx (US) 2005-10-26 EP claimed
US-20040156931-A1 Administration of capsaicinoids ALGORX 2004-08-12 US claimed
WO-2004056305-A2 ADMINISTRATION OF CAPSAICINOIDS ALGORX (US) 2004-07-08 WO claimed
US-5646181-A ORGANIC NITRITE COMPOUNDS RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-07-08 US claimed
US-5489610-A TREATING CONDITIONS SUCH AS ANGINA PECTORIS, ISCHEMIC DISEASES, CONGESTIVE HEART FAILURE, CONTROLLING HYPERTENSION AND IMPOTENCE IN MALE PATIENTS RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1996-02-06 US claimed
CN-113166004-B Method for preparing 5-bromo-1, 3-dichloro-2-fluorobenzene 巴斯夫欧洲公司 2024-11-29 CN disclosed
CN-118239819-A Method for preparing 4-halogenated-3-fluorotoluene 沈阳中化农药化工研发有限公司 2024-06-25 CN disclosed
US-5489610-A TREATING CONDITIONS SUCH AS ANGINA PECTORIS, ISCHEMIC DISEASES, CONGESTIVE HEART FAILURE, CONTROLLING HYPERTENSION AND IMPOTENCE IN MALE PATIENTS RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1996-02-06 US disclosed
US-5208002-A METHOD OF PRODUCING ALKALI METAL AZIDES NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0514143-A1 Method of producing alkali metal azides NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1992-11-19 EP 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 (1 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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP IL2 24/4885L3MBTL1 4278/4885ABCB1 1397/4885

“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.