SCHEMBL4861825

SCHEMBL4861825

CNc1nc(C)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
GRM5 P41594 2/20 0.38
CCR1 P32246 2/20 0.37
RAB9A P51151 1/20 0.37
CCR5 P51681 1/20 0.37
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 4/20 0.33
TERT O14746 1/20 0.33

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
SCHEMBL6218586 0.78 POLB (0.42) RAB9ALMNAPOLBKMT2ACYP3A4
SCHEMBL94534 0.77 NCF1 (0.43) NOS3NOS2KDM4ELMNACYP3A4
SCHEMBL13547616 0.76 CCR1 (0.40) NOS3NOS2CCR1RAB9ACCR5
SCHEMBL5292836 0.76 HTR6 (0.33) RAB9AKDM4ELMNAMAPTADORA2A
SCHEMBL1502908 0.76 SIRT2 (0.38) RAB9AKDM4ELMNAGAAKMT2A
SCHEMBL31731416 0.76 HTR6 (0.33) RAB9AKDM4ELMNAMAPTADORA2A
SCHEMBL29556882 0.76 SIRT2 (0.38) RAB9AKDM4ELMNAGAAKMT2A
SCHEMBL13506395 0.74 CYP1A2 (0.49) RAB9AKDM4ELMNAGAAKMT2A
SCHEMBL25647004 0.74 GRM5 (0.46) GRM5RAB9AKDM4ELMNAPOLB
SCHEMBL12727110 0.74 RAB9A (0.47) RAB9AKDM4ELMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-8460397-B2 Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a pyridine and derivatives thereof THE PROCTER & GAMBLE COMPANY (US) 2013-06-11 US disclosed
US-20120210526-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Pyridine and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US disclosed
US-20080275235-A1 NOVEL FUSED HETEROAROMATIC COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2008-11-06 US disclosed
US-7417041-B2 Imidazopyrimidines as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2008-08-26 US disclosed
US-7407969-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
US-7407969-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
EP-1601676-A2 FUSED IMIDAZOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-12-07 EP disclosed
WO-2004078110-A2 FUSED IMIZADOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-09-16 WO disclosed
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-09-09 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 (5 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 NOS3 834/4885NOS2 1234/4885GRM5 819/4885
US-20120210526-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Pyridine and Derivatives Thereof KRT18, NOX4, AOC1 NOS3 242/4885NOS2 582/4885GRM5 2925/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 NOS3 755/4885NOS2 1161/4885GRM5 813/4885
US-20080275235-A1 NOVEL FUSED HETEROAROMATIC COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, SMAD2 NOS3 1613/4885NOS2 1377/4885GRM5 2641/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 NOS3 1561/4885NOS2 1427/4885GRM5 2742/4885

“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.