SCHEMBL2237883

SCHEMBL2237883

CNCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CCNE1 P24864 7/20 0.48
CDK2 P24941 7/20 0.48
CDK5 Q00535 4/20 0.48
CXCR4 P61073 1/20 0.46
HIF1A Q16665 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
METAP1 P53582 1/20 0.45

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
SCHEMBL14073589 0.88 PRMT6 (0.51) ADRB2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL13315147 0.86 CYP2D6 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3722162 0.82 IDO1 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16781356 0.82 CXCR4 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15217630 0.81 KDM4E (0.48) CYP1A2KDM4ECYP3A4MAPTCXCR4
SCHEMBL20474808 0.80 ALOX12 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6840443 0.79 CYP1A2 (0.59) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL31211649 0.79 CYP1A2 (0.59) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL14957567 0.79 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12327091 0.79 CCNE1 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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
WO-2022119864-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION (US) 2022-06-09 WO disclosed
US-11289238-B2 Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2022-03-29 US disclosed
WO-2021112933-A1 COMPOSITIONS FOR THE FILLING OF HIGH ASPECT RATIO VERTICAL INTERCONNECT ACCESS (VIA) HOLES HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2021-06-10 WO disclosed
US-20210174983-A1 COMPOSITIONS FOR THE FILLING OF HIGH ASPECT RATIO VERTICAL INTERCONNECT ACCESS (VIA) HOLES HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC 2021-06-10 US disclosed
WO-2019055657-A1 BAF COMPLEX MODULATING COMPOUNDS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-21 WO disclosed
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-9107956-B2 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2015-08-18 US disclosed
US-9095620-B2 Reagents NEKTAR THERAPEUTICS (US) 2015-08-04 US disclosed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US disclosed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP disclosed
US-20140045770-A1 OLIGOMER-PROTEASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2014-02-13 US disclosed
US-20110269677-A1 Oligomer-Protease Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2011-11-03 US disclosed
EP-2361251-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2011-08-31 EP disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
US-20110071093-A1 Novel Reagents NEKTAR THERAPEUTICS (US) 2011-03-24 US disclosed
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 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 (7 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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 ADRB2 1050/4885CYP1A2 2062/4885CYP2D6 489/4885
US-20110071093-A1 Novel Reagents DNPEP, NGLY1, COG7 ADRB2 4787/4885CYP1A2 4708/4885CYP2D6 4659/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 ADRB2 878/4885CYP1A2 1716/4885CYP2D6 407/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 ADRB2 1050/4885CYP1A2 2062/4885CYP2D6 489/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 ADRB2 968/4885CYP1A2 1680/4885CYP2D6 464/4885
US-20140045770-A1 OLIGOMER-PROTEASE INHIBITOR CONJUGATES DNPEP, ADAM17, SERPINB1 ADRB2 4599/4885CYP1A2 2315/4885CYP2D6 1754/4885
US-20110269677-A1 Oligomer-Protease Inhibitor Conjugates ADAM17, DNPEP, SERPINB1 ADRB2 4736/4885CYP1A2 2427/4885CYP2D6 2353/4885

“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.