SCHEMBL4417128

SCHEMBL4417128

Cc1nc(Cl)c2cc(Cl)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
EGFR P00533 1/20 0.45
MPO P05164 1/20 0.45
MAT2A P31153 1/20 0.45
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
HSP90AB1 P08238 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHODH Q02127 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 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
SCHEMBL12501269 0.86 MPO (0.58) KDM4EALDH1A1FABP3FABP4EGFR
SCHEMBL14843585 0.84 LMNA (0.56) KDM4EALDH1A1LMNAL3MBTL1MAPT
SCHEMBL13081604 0.81 TYMS (0.40) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL3118975 0.81 RXFP1 (0.51) KDM4EALDH1A1MPOHTTMAPT
SCHEMBL4422873 0.81 MPO (0.46) KDM4EALDH1A1MAPK1FABP3FABP4
SCHEMBL28605665 0.79 ALDH1A1 (0.45) KDM4EALDH1A1FABP3FABP4EGFR
SCHEMBL28608301 0.79 ALDH1A1 (0.45) KDM4EALDH1A1FABP3FABP4EGFR
SCHEMBL27882453 0.79 ALDH1A1 (0.45) KDM4EALDH1A1FABP3FABP4EGFR
SCHEMBL30013869 0.79 KDM4E (0.44) KDM4EALDH1A1MAPK1MPOMAT2A
SCHEMBL405341 0.79 KDM4E (0.44) KDM4EALDH1A1MAPK1MPOMAT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026752-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2025-01-23 US disclosed
WO-2023064588-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
CN-113004210-A Quinazoline-4-selenium salt compound, preparation method and biological activity 鲁东大学 2021-06-22 CN disclosed
CN-104000828-B Quinazoline two selenium salt compounds and preparation method and biologically active 鲁东大学 2016-07-06 CN disclosed
CN-102627614-B Diquinazoline diselenide compound as well as preparation method and bioactivity thereof UNIV LUDONG 2014-06-25 CN disclosed
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed
WO-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 WO disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
WO-2007042669-A2 DERIVATIVES OF 4-AMINO-QUINAZOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFIS-AVENTIS (FR) 2007-04-19 WO disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US disclosed
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 EP disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO disclosed
EP-1230225-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-08-14 EP disclosed
WO-2001032632-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 KDM4E 4750/4885ALDH1A1 1195/4885MAPK1 131/4885
US-20250026752-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 KDM4E 1325/4885ALDH1A1 3498/4885MAPK1 2964/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 KDM4E 4716/4885ALDH1A1 1039/4885MAPK1 105/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 KDM4E 4750/4885ALDH1A1 1195/4885MAPK1 131/4885

“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.