SCHEMBL1617798

SCHEMBL1617798

Nc1nc(Cl)c2c(n1)CCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ACHE P22303 12/20 0.52
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BPTF Q12830 1/20 0.50
NSD2 O96028 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
APAF1 O14727 1/20 0.45
TP53 P04637 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HRH2 P25021 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NOS3 P29474 1/20 0.42

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
SCHEMBL24954180 0.98 KDM4E (0.57) KDM4EACHEMAPK1MEN1KMT2A
SCHEMBL2922186 0.96 KDM4E (0.53) KDM4EACHEMAPK1MEN1KMT2A
SCHEMBL3563842 0.77 KDM4E (0.63) KDM4EACHEMAPK1MEN1KMT2A
SCHEMBL29466623 0.77 MAPK1 (0.47) KDM4EACHEMAPK1MEN1KMT2A
SCHEMBL1819184 0.77 MAPK1 (0.47) KDM4EACHEMAPK1MEN1KMT2A
SCHEMBL16136206 0.76 MAPK1 (0.46) KDM4EACHEMAPK1MEN1KMT2A
SCHEMBL15831715 0.76 MAPK1 (0.46) KDM4EACHEMAPK1MEN1KMT2A
SCHEMBL23816987 0.76 MAPK1 (0.46) KDM4EACHEMAPK1MEN1KMT2A
SCHEMBL31095398 0.76 MAPK1 (0.46) KDM4EACHEMAPK1MEN1KMT2A
SCHEMBL3106221 0.74 MAPK1 (0.44) KDM4EACHEMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225750-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-8716475-B2 2-aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 US disclosed
US-20130158259-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 US disclosed
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 US disclosed
EP-2599386-A1 2-aminopyrimidine modulators of the histamine h4 receptor Janssen Pharmaceutica N.V. (BE) 2013-06-05 EP disclosed
EP-1110951-B1 PYRIMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-05-19 EP disclosed
US-20030105323-A1 Pyrimidine derivative SUMITOMO PHARMACEUTICALS COMPANY LIMITED 2003-06-05 US disclosed
US-6458798-B1 HAS AN INHIBITORY ACTIVITY OF PRODUCTION OF TH2 TYPE CYTOKINES SUCH AS IL-4, IL-5, ETC., AND IS USEFUL AS AN THERAPEUTIC AGENT FOR ALLERGIC DISEASES, AUTOIMMUNE DISEASES SUCH AS SYSTEMIC LUPUS ERYTHEMATHOSUS, ETC., AND ACQUIRED SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-10-01 US disclosed
EP-1110951-A1 PYRIMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-27 EP disclosed
US-5760043-A USING 2-AMINOPYRIDINE-3-OXIDE L'OREAL (FR) 1998-06-02 US disclosed
US-5610302-A TREATMENT OF DISEASES OF SCALP DERMATITIS L'OREAL (FR) 1997-03-11 US disclosed
EP-0422178-B1 PYRIMIDINE DERIVATIVES ZENECA LTD (GB) 1994-10-05 EP disclosed
US-5223505-A PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-29 US disclosed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP disclosed
WO-1990012790-A1 PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-01 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-20130158259-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 KDM4E 1064/4885ACHE 2420/4885MAPK1 3928/4885
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4284/4885ACHE 4824/4885MAPK1 3708/4885
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 KDM4E 1064/4885ACHE 2420/4885MAPK1 3928/4885
US-20030105323-A1 Pyrimidine derivative IL5, IL4, IL15 KDM4E 1077/4885ACHE 4681/4885MAPK1 639/4885

“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.