SCHEMBL258654

SCHEMBL258654

O=Cc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
PDGFRB P09619 1/20 0.39
CYP1A2 P05177 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PIM1 P11309 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
STK3 Q13188 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
XDH P47989 1/20 0.36
MAP2K1 Q02750 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
SCHEMBL1336626 0.81 MAPK1 (0.38) MAPK1MEN1KMT2ARAB9APDGFRB
SCHEMBL15331765 0.81 MCL1 (0.39) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL1335981 0.81 PDGFRB (0.42) MEN1KMT2ARAB9APDGFRBL3MBTL1
SCHEMBL15330806 0.81 IDO1 (0.45) MAPK1MEN1KMT2AKDM4EPIM1
SCHEMBL15330437 0.81 PDGFRB (0.46) PDGFRBALDH1A1KDM4EPIM1CSNK1D
SCHEMBL15331322 0.81 IDO1 (0.45) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL1562816 0.81 MEN1 (0.40) MAPK1MEN1KMT2ARAB9APDGFRB
SCHEMBL10779883 0.78 MAPK1 (0.40) MAPK1MEN1KMT2ARAB9APDGFRB
SCHEMBL12068346 0.78 MAPK1 (0.58) MAPK1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL12068348 0.78 MAPK1 (0.58) MAPK1MEN1KMT2ARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894416-B1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS INC (US) 2022-11-09 EP disclosed
EP-3894416-B1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS INC (US) 2022-11-09 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11286243-B2 Ferroportin inhibitors and methods of use GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-03-29 US disclosed
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
EP-3894416-A1 FERROPORTIN INHIBITORS AND METHODS OF USE Global Blood Therapeutics, Inc. (US) 2021-10-20 EP disclosed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-20200190045-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 US disclosed
US-20200190045-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 US disclosed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 US disclosed
CN-1849303-A Novel heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO (JP) 2006-10-18 CN disclosed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 EP disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 EP disclosed
CN-1219780-C Heterocyclic compounds binding chemotactic factor receptor ANORMED INC (CA) 2005-09-21 CN disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 US disclosed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 US disclosed
CN-1351601-A Heterocyclic compounds binding chemotactic factor receptor ANORMED INC (CA) 2002-05-29 CN disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 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-20060264434-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 MAPK1 824/4885MEN1 4013/4885KMT2A 4150/4885
US-11286243-B2 Ferroportin inhibitors and methods of use SLC40A1, HAMP, SFXN1 MAPK1 1930/4885MEN1 321/4885KMT2A 4244/4885
US-20200190045-A1 FERROPORTIN INHIBITORS AND METHODS OF USE SLC40A1, HAMP, TFRC MAPK1 2169/4885MEN1 775/4885KMT2A 4285/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 MAPK1 695/4885MEN1 4366/4885KMT2A 4002/4885

“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.