SCHEMBL244011

SCHEMBL244011

CCc1cccc(-c2cccc(CC)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
CCR8 P51685 2/20 0.46
KCNH2 Q12809 1/20 0.41
CXCR4 P61073 1/20 0.39
PARP1 P09874 1/20 0.39
TGFBR1 P36897 8/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALPL P05186 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CCR5 P51681 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14085152 0.89 CCR1 (0.67) CCR1CCR8KCNH2CXCR4TGFBR1
SCHEMBL12450064 0.87 PARP1 (0.44) CCR1CCR8KCNH2CXCR4PARP1
SCHEMBL13623090 0.87 ASIC3 (0.48) CCR1CCR8CXCR4TGFBR1NOS1
SCHEMBL45869 0.86 KCNH2 (0.52) KCNH2CXCR4PARP1HRH4GRIN2D
SCHEMBL13596181 0.85 KDM4E (0.63) CCR1CCR8TGFBR1KDM4ELMNA
SCHEMBL13283433 0.84 RAB9A (0.60) TP53HSP90AA1ALOX15SMN1; SMN2TDP1
SCHEMBL23457336 0.84 IDH1 (0.35) CCR1CCR8KCNH2CXCR4PARP1
SCHEMBL24581100 0.84 KDM4E (0.67) CCR1CCR8TGFBR1KDM4ELMNA
SCHEMBL13826881 0.84 CHRNA7 (0.35) CCR1CCR8KCNH2CXCR4PARP1
SCHEMBL11564452 0.83 KCNH2 (0.50) KCNH2CXCR4PARP1HRH4GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022132048-A1 PHOSPHORUS COMPOUNDS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-06-23 WO disclosed
US-11014886-B2 Method for preparing 2,2′-dipyridine and derivatives thereof NANJING REDSUN BIOCHEMISTRY CO., LTD. (CN) 2021-05-25 US disclosed
US-20200331857-A1 METHOD FOR PREPARING 2,2'-DIPYRIDINE AND DERIVATIVES THEREOF NANJING REDSUN BIOCHEMISTRY CO., LTD. (CN) 2020-10-22 US disclosed
US-20150297576-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA S L (ES) 2015-10-22 US disclosed
US-20150297576-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA S L (ES) 2015-10-22 US disclosed
US-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2015-04-09 US disclosed
US-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2015-04-09 US disclosed
US-20150004252-A1 METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L (ES) 2015-01-01 US disclosed
US-20150004252-A1 METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L (ES) 2015-01-01 US disclosed
EP-2340042-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA S L (ES) 2014-07-23 EP disclosed
EP-2316970-A2 METHODS FOR THE TREATMENT AND DIAGNOSIS OF CANCER Traslational Cancer Drugs Pharma, S.L. (ES) 2011-05-04 EP disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-7781458-B2 Derivatives of pyridine and quinoline CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-08-24 US disclosed
US-7781458-B2 Derivatives of pyridine and quinoline CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-08-24 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
US-20100068302-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2010-03-18 US disclosed
US-20100068302-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2010-03-18 US disclosed
EP-2085386-A2 Pyridinium and quinolinium derivatives as Choline kinase inhibitors Consejo Superior De Investigaciones Científicas (ES) 2009-08-05 EP disclosed
US-20070185170-A1 Derivatives of pyridine and quinoline CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-08-09 US disclosed
US-20070185170-A1 Derivatives of pyridine and quinoline CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-08-09 US 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 (8 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-20150297576-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ASAH1, ACER2, ASAH2 CCR1 573/4885CCR8 1170/4885KCNH2 2282/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 CCR1 510/4885CCR8 2317/4885KCNH2 150/4885
US-20200331857-A1 METHOD FOR PREPARING 2,2'-DIPYRIDINE AND DERIVATIVES THEREOF HRH2, AMPD2, QDPR CCR1 2897/4885CCR8 4285/4885KCNH2 456/4885
US-20070185170-A1 Derivatives of pyridine and quinoline CHKA, CHKB, PHOSPHO1 CCR1 1569/4885CCR8 4258/4885KCNH2 704/4885
US-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER CHKA, CHKB, CEPT1 CCR1 2006/4885CCR8 3536/4885KCNH2 2575/4885
US-20100068302-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ASAH1, ACER2, ASAH2 CCR1 573/4885CCR8 1170/4885KCNH2 2282/4885
US-20150004252-A1 METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER CHKA, CHKB, DCK CCR1 447/4885CCR8 1152/4885KCNH2 1646/4885
US-11014886-B2 Method for preparing 2,2′-dipyridine and derivatives thereof HRH2, AMPD2, DPYD CCR1 2915/4885CCR8 4291/4885KCNH2 462/4885

“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.