SCHEMBL61206

SCHEMBL61206

Clc1ncnc2[nH]cc(I)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 1.00
TRPA1 O75762 2/20 0.42
NOTUM Q6P988 1/20 0.36
AURKA O14965 1/20 0.36
AKT1 P31749 5/20 0.35
MAPK1 P28482 1/20 0.34
STK4 Q13043 2/20 0.33
STK3 Q13188 2/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 6/20 0.33
JAK2 O60674 1/20 0.31

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
SCHEMBL1598149 0.79 CHEK1 (0.66) CHEK1TRPA1NOTUMAURKAAKT1
SCHEMBL22912722 0.79 CHEK1 (0.66) CHEK1TRPA1NOTUMAURKAAKT1
SCHEMBL31329069 0.79 CHEK1 (0.66) CHEK1TRPA1NOTUMAURKAAKT1
SCHEMBL153752 0.78 CHEK1 (0.63) CHEK1TRPA1NOTUMAURKAAKT1
SCHEMBL397485 0.78 CHEK1 (0.63) CHEK1TRPA1AURKAMAPK1STK3
SCHEMBL2323682 0.78 CHEK1 (0.63) CHEK1TRPA1NOTUMAURKAAKT1
SCHEMBL2537071 0.76 CHEK1 (0.61) CHEK1TRPA1AURKAAKT1MAPK1
SCHEMBL7887899 0.76 CHEK1 (0.61) CHEK1TRPA1NOTUMAURKAMAPK1
SCHEMBL357993 0.76 CHEK1 (0.61) CHEK1TRPA1NOTUMAURKAAKT1
SCHEMBL5019486 0.76 CHEK1 (0.61) CHEK1TRPA1NOTUMAURKAAKT1

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 1072 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088886-A Novel pyrrolo [2,3-d ] pyrimidine derivative containing coumarin, and preparation method and application thereof 山东省药学科学院 2023-11-21 CN claimed
CN-115340557-A Synthesis method of 4-chloro-5-iodo-7-methyl-7H-pyrrolo [2,3-d ] pyrimidine 安徽大学 2022-11-15 CN claimed
CN-114907348-B Preparation method of 4-chloro-5-iodo-7H-pyrrolo [2,3-d ] pyrimidine 济南宣正药业有限公司 2022-10-28 CN claimed
CN-114907348-A Preparation method of 4-chloro-5-iodo-7H-pyrrolo [2,3-d ] pyrimidine 济南宣正药业有限公司 2022-08-16 CN claimed
CN-112851719-A Method for synthesizing giardiamycin 康化(上海)新药研发有限公司 2021-05-28 CN claimed
US-7169918-B2 Methods for preparing 7-(2′-substituted-β-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-01-30 US claimed
EP-1682564-A1 METHODS FOR PREPARING 7-(2 -SUBSTITUTED-s-D-RIBOFURANO SYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO 2,3-D|PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2006-07-26 EP claimed
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. 2005-09-29 US claimed
WO-2005044835-A1 METHODS FOR PREPARING 7-(2'-SUBSTITUTED-ß-D-RIBOFURANOSYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2005-05-19 WO claimed
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 US disclosed
US-12577249-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2026-03-17 US disclosed
US-12552826-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-02-17 US disclosed
EP-4687884-A2 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2026-02-11 EP disclosed
EP-4687883-A2 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2026-02-11 EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS 1994-09-29 WO disclosed
WO-1994018215-A1 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES GENSIA, INC. (US) 1994-08-18 WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 WO disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP disclosed
US-4968686-A DECREASED CYTOTOXICITY; CYTOMEGALO AND HERPEX SIMPLEX VIRUSES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1990-11-06 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 (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-12577249-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 CHEK1 364/4885TRPA1 4124/4885NOTUM 4818/4885
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives HAVCR2, NR4A3, NR2C2 CHEK1 4549/4885TRPA1 4796/4885NOTUM 4684/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 CHEK1 1951/4885TRPA1 44/4885NOTUM 3035/4885
US-12552826-B2 PRMT5 inhibitors PRMT5, PRMT6, PRMT1 CHEK1 202/4885TRPA1 4469/4885NOTUM 3428/4885

“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.