SCHEMBL654782

SCHEMBL654782

Clc1ncnc2sc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.56
VCAM1 P19320 1/20 0.56
EGFR P00533 17/20 0.49
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.39

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
SCHEMBL30408920 1.00 SELE (0.56) SELEVCAM1EGFRHDAC3HDAC1
SCHEMBL31026187 0.76 EGFR (0.49) EGFR
SCHEMBL6484704 0.76 SELE (0.56) SELEVCAM1EGFRHDAC3HDAC1
SCHEMBL1368716 0.76 SELE (0.61) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL1192721 0.76 EGFR (0.49) EGFRMEN1
SCHEMBL4388091 0.76 SELE (0.70) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL3980685 0.72 SELE (0.51) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL15628663 0.72 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL439142 0.72 SELE (0.56) SELEVCAM1EGFRHDAC3HDAC1
SCHEMBL10325118 0.72 SELE (0.51) SELEVCAM1EGFRHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 US disclosed
US-20250340565-A1 CD73 INHIBITOR COMPOUNDS ADORX THERAPEUTICS LTD (GB) 2025-11-06 US disclosed
EP-4532495-A1 CD73 INHIBITOR COMPOUNDS Adorx therapeutics Limited (GB) 2025-04-09 EP disclosed
US-20250017935-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2025-01-16 US disclosed
US-12171739-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2024-12-24 US disclosed
US-20240400577-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC 2024-12-05 US disclosed
US-20240293412-A1 NAMPT ACTIVATORS FOR TREATING METABOLIC AND NEUROLOGICAL DISORDERS UNIV ILLINOIS (US) 2024-09-05 US disclosed
US-12060365-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-08-13 US disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US disclosed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US disclosed
WO-2004112714-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 WO disclosed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2004066921-A2 ERBB4 CO-CRYSTAL SMITHKLINE BEECHAM CORPORATION (US) 2004-08-12 WO disclosed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed
US-4196207-A Process for controlling eradicating or preventing infestations of animals by Ixodid ticks ICI AUSTRALIA LIMITED 1980-04-01 US disclosed
US-4146716-A PLANT GROWTH REGULATORS, FUNGICIDES, BACTERICIDES, VIRICIDES, INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-03-27 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 (9 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-20240400577-A1 MODULATORS OF PROTEIN KINASES MAP3K20, PRKCE, PRKCH SELE 4017/4885VCAM1 2577/4885EGFR 862/4885
US-20240293412-A1 NAMPT ACTIVATORS FOR TREATING METABOLIC AND NEUROLOGICAL DISORDERS NAMPT, NQO1, NADK SELE 3018/4885VCAM1 3204/4885EGFR 4356/4885
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 SELE 4102/4885VCAM1 4288/4885EGFR 20/4885
US-20250340565-A1 CD73 INHIBITOR COMPOUNDS ENTPD5, ENTPD1, NT5E SELE 1862/4885VCAM1 2389/4885EGFR 1619/4885
US-12060365-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 SELE 2272/4885VCAM1 1454/4885EGFR 4052/4885
US-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 SELE 3568/4885VCAM1 2334/4885EGFR 4627/4885
US-12171739-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 SELE 1889/4885VCAM1 1927/4885EGFR 4/4885
US-20250017935-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS CHRM5, CHRM4, CHRM1 SELE 4602/4885VCAM1 3177/4885EGFR 2426/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 SELE 3967/4885VCAM1 1044/4885EGFR 4155/4885

“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.