SCHEMBL586310

SCHEMBL586310

Clc1ncc(Br)c(NC2CCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
AXL P30530 1/20 0.49
ULK1 O75385 1/20 0.41
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
MEN1 O00255 1/20 0.40
HPGDS O60760 1/20 0.40
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ADORA2A P29274 6/20 0.38
ADORA3 P0DMS8 5/20 0.38
ADORA1 P30542 5/20 0.38
SYK P43405 1/20 0.37
IGF1R P08069 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL1976634 0.97 KMT2A (0.65) KMT2AAXLULK1JAK1TYK2
SCHEMBL29860203 0.97 KMT2A (0.65) KMT2AAXLULK1JAK1TYK2
SCHEMBL2302601 0.95 KMT2A (0.68) KMT2AAXLJAK1TYK2MEN1
SCHEMBL2305520 0.95 KMT2A (0.68) KMT2AAXLJAK1TYK2MEN1
SCHEMBL24799800 0.95 KMT2A (0.68) KMT2AAXLJAK1TYK2MEN1
SCHEMBL1773741 0.93 KMT2A (0.55) KMT2AAXLULK1JAK1TYK2
SCHEMBL23967510 0.93 KMT2A (0.54) KMT2AAXLULK1JAK1TYK2
SCHEMBL19763757 0.90 KMT2A (0.51) KMT2AAXLJAK1TYK2AURKA
SCHEMBL13649059 0.89 KMT2A (0.51) KMT2AAXLJAK1TYK2MEN1
SCHEMBL30990742 0.87 KMT2A (0.48) KMT2AAXLADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741383-A1 COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2026-05-13 EP disclosed
WO-2025011480-A1 COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG 泰励生物科技(上海)有限公司 2025-01-16 WO disclosed
EP-3956031-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH Pfizer Inc. (US) 2022-02-23 EP disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO disclosed
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 US disclosed
CN-107108561-B Heteroaryl compounds as IRAK inhibitors and uses thereof 默克专利有限公司 2020-08-28 CN disclosed
EP-3221306-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
US-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-07-24 US disclosed
CN-102203070-A Alkoxy-and alkylthio-substituted anilinopyrimidines BAYER CROPSCIENCE AG 2011-09-28 CN disclosed
CN-102123591-A Diaminopyrimidines as plant protection agents BAYER CROPSCIENCE AG 2011-07-13 CN disclosed
EP-2331512-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2331532-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 EP disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010025833-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 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 (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-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 KMT2A 855/4885AXL 765/4885ULK1 944/4885
US-11203594-B2 Anti-proliferative agents for treating PAH EDNRB, EDNRA, PAH KMT2A 1453/4885AXL 4331/4885ULK1 4199/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 KMT2A 2050/4885AXL 1831/4885ULK1 4375/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH KMT2A 1453/4885AXL 4331/4885ULK1 4199/4885

“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.