SCHEMBL3728246

SCHEMBL3728246

CC(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.76
HTT P42858 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
TSHR P16473 2/20 0.66
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
BRAF P15056 1/20 0.58
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 3/20 0.56
RXFP1 Q9HBX9 1/20 0.56
GAA P10253 3/20 0.56
PRNP P04156 1/20 0.56
POLB P06746 1/20 0.56
NISCH Q9Y2I1 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
Acetaminophen SCHEMBL2128715 0.91 MAPT (0.71) SMN1; SMN2HTTL3MBTL1TSHRHDAC3
Acetaminophen SCHEMBL1649625 0.89 MAPT (0.69) SMN1; SMN2HTTL3MBTL1TSHRHDAC3
SCHEMBL48610 0.87 TSHR (0.69) SMN1; SMN2HTTL3MBTL1TSHRKDM4E
SCHEMBL3818831 0.87 SMN1; SMN2 (1.00) SMN1; SMN2HTTL3MBTL1TSHRKDM4E
Pyridine SCHEMBL27521497 0.85 SMN1; SMN2 (0.66) SMN1; SMN2HTTL3MBTL1TSHRHDAC1
Water SCHEMBL11515613 0.85 TSHR (0.67) SMN1; SMN2HTTL3MBTL1TSHRKDM4E
Hydrochloric Acid SCHEMBL11146958 0.85 TSHR (0.67) SMN1; SMN2HTTL3MBTL1TSHRKDM4E
Acetic Acid SCHEMBL9762020 0.83 TSHR (0.65) SMN1; SMN2HTTL3MBTL1TSHRKDM4E
SCHEMBL4516268 0.82 ROCK2 (0.57) SMN1; SMN2HTTL3MBTL1HDAC1KDM4E
SCHEMBL9762638 0.81 SMN1; SMN2 (0.86) SMN1; SMN2HTTL3MBTL1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases STEP PHARMA S.A.S. (FR) 2023-03-23 US disclosed
WO-2023280294-A1 TARGET AND SMALL MOLECULE COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES OR CENTRAL NERVOUS SYSTEM INJURY 北京干细胞与再生医学研究院 2023-01-12 WO disclosed
US-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 US disclosed
US-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 US disclosed
CN-105517993-B Aryl amide kinase inhibitors 百时美施贵宝公司 2018-07-13 CN disclosed
CN-106061974-B Maleimide derivatives as the conditioning agent of WNT approach 新加坡科技研究局 2018-04-20 CN disclosed
WO-2017008708-A1 METHOD FOR PREPARING INDAZOLE COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2017-01-19 WO disclosed
CN-106317023-A Preparation method and application of indazole compound 中国科学院上海药物研究所 2017-01-11 CN disclosed
CN-106061974-A Maleimide derivatives as modulators of WNT pathway 新加坡科技研究局 2016-10-26 CN disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 WO disclosed
US-4377585-A Use of 4-[4(or 3)-aminophenyl]pyridines as cardiotonic agents STERLING DRUG INC. (US) 1983-03-22 US disclosed
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP disclosed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed
US-4317827-A 4-[4(or 3)-Acylaminophenyl]pyridines and their use as cardiotonics STERLING DRUG INC. (US) 1982-03-02 US disclosed
US-3994903-A Preparation of 4-(3-nitrophenyl)pyridine STERLING DRUG INC. (US) 1976-11-30 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 (5 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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS AAK1, ADCK1, ANKK1 SMN1; SMN2 3740/4885HTT 4288/4885L3MBTL1 2143/4885
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases CTPS1, CTPS2, CERS2 SMN1; SMN2 3607/4885HTT 3593/4885L3MBTL1 3299/4885
US-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 SMN1; SMN2 3740/4885HTT 4288/4885L3MBTL1 2143/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 SMN1; SMN2 976/4885HTT 1570/4885L3MBTL1 1268/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 SMN1; SMN2 2790/4885HTT 3260/4885L3MBTL1 4277/4885

“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.