SCHEMBL2290042

SCHEMBL2290042

CNC(=O)c1cccc(I)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
HDAC2 Q92769 2/20 0.55
HDAC1 Q13547 1/20 0.55
GRM5 P41594 1/20 0.55
MTOR P42345 3/20 0.53
TP53BP1 Q12888 1/20 0.53
F2 P00734 1/20 0.50
SLC7A5 Q01650 1/20 0.47
KAT6A Q92794 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
PLK1 P53350 1/20 0.44
CREBBP Q92793 1/20 0.43
PLAU P00749 1/20 0.43
CDK8 P49336 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
SCHEMBL5909363 0.85 HDAC8 (0.83) HDAC8HDAC6HDAC2SLC7A5MEN1
SCHEMBL7426418 0.83 MTOR (0.52) HDAC8HDAC6HDAC2HDAC1GRM5
SCHEMBL11524926 0.82 KDM4E (0.62) HDAC8HDAC6HDAC2HDAC1GRM5
SCHEMBL1926964 0.81 MTOR (0.52) HDAC8HDAC6HDAC2HDAC1GRM5
SCHEMBL2293623 0.80 ALDH1A1 (0.63) HDAC2HDAC1GRM5MTORTP53BP1
SCHEMBL6969984 0.80 HDAC1 (0.51) HDAC8HDAC6HDAC2HDAC1GRM5
SCHEMBL9393757 0.80 HDAC8 (0.69) HDAC8HDAC6HDAC2SLC7A5MEN1
SCHEMBL13381540 0.79 TP53BP1 (0.60) HDAC2HDAC1GRM5MTORTP53BP1
SCHEMBL752480 0.79 HDAC1 (0.59) HDAC2HDAC1GRM5MTORTP53BP1
SCHEMBL13377323 0.79 TP53BP1 (0.60) HDAC2HDAC1GRM5MTORTP53BP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276976-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2025-09-04 US disclosed
CN-120004754-A Preparation method of high-purity N-methyl halogenated benzamide 福州大学 2025-05-16 CN disclosed
US-12275741-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-04-15 US disclosed
CN-118955409-A Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-11-15 CN disclosed
US-20240368172-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2024-11-07 US disclosed
CN-112867539-B Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-08-06 CN disclosed
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 EP disclosed
US-11952381-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2024-04-09 US disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 US disclosed
EP-4157844-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER Centre national de la recherche scientifique (FR) 2023-04-05 EP disclosed
WO-2008155140-A1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP disclosed
US-20060205740-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-09-14 US disclosed
CN-1770980-A Pyrazoles and methods of making and using the same BIOGEN IDEC INC (US) 2006-05-10 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-1309575-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS Galderma Research & Development (FR) 2003-05-14 EP disclosed
WO-2002012210-A9 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RES & DEV (FR) 2002-04-18 WO disclosed
WO-2002012210-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 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 (7 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-12275741-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 HDAC8 261/4885HDAC6 77/4885HDAC2 175/4885
US-20240368172-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 HDAC8 261/4885HDAC6 77/4885HDAC2 175/4885
US-20250276976-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 HDAC8 261/4885HDAC6 77/4885HDAC2 175/4885
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 HDAC8 2463/4885HDAC6 1540/4885HDAC2 1007/4885
US-11952381-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 HDAC8 261/4885HDAC6 77/4885HDAC2 175/4885
US-20060205740-A1 Chemical compounds ERBB2, ERBB4, ERBB3 HDAC8 4408/4885HDAC6 3797/4885HDAC2 3998/4885
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER LIMK1, LIMK2, ROCK1 HDAC8 2854/4885HDAC6 3382/4885HDAC2 2497/4885

“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.