SCHEMBL4422873

SCHEMBL4422873

Cc1nc(O)c2cc(Cl)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
DHODH Q02127 2/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
HSP90AB1 P08238 1/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
PTGES O14684 1/20 0.41

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
SCHEMBL25286858 0.85 POLB (0.53) MPOALDH1A1MEN1KMT2ADHODH
SCHEMBL12501269 0.82 MPO (0.58) MPONPFFR1NPFFR2ALDH1A1MEN1
SCHEMBL4417128 0.81 KDM4E (0.49) MPONPFFR1NPFFR2ALDH1A1DHODH
SCHEMBL8284883 0.81 LMNA (0.47) ALDH1A1MEN1KMT2ADHODHKDM4E
SCHEMBL8361293 0.81 ALDH1A1 (0.42) MPONPFFR1NPFFR2ALDH1A1MEN1
SCHEMBL1882215 0.81 ALDH1A1 (0.42) MPONPFFR1NPFFR2ALDH1A1MEN1
SCHEMBL18057353 0.78 ALDH1A1 (0.46) MPOALDH1A1MEN1KMT2AKDM4E
SCHEMBL4748554 0.78 POLB (0.53) MPONPFFR1NPFFR2ALDH1A1MEN1
SCHEMBL11592944 0.78 KDM4E (0.43) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL28605665 0.76 ALDH1A1 (0.45) MPONPFFR1NPFFR2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109694358-A 2- is to nitre styryl -4- substituted-amino quinazoline derivant and its preparation method and application 广西师范大学 2019-04-30 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MPO 395/4885NPFFR1 752/4885NPFFR2 1536/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 MPO 424/4885NPFFR1 689/4885NPFFR2 1585/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 MPO 395/4885NPFFR1 752/4885NPFFR2 1536/4885

“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.