SCHEMBL1665446

SCHEMBL1665446

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccncc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.67
TYK2 P29597 4/20 0.67
JAK1 P23458 2/20 0.67
ROCK2 O75116 1/20 0.58
ROCK1 Q13464 1/20 0.58
ATF1 P18846 1/20 0.57
NFKB1 P19838 1/20 0.57
P2RX1 P51575 2/20 0.56
P2RX4 Q99571 1/20 0.54
P2RX7 Q99572 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
EPHX2 P34913 1/20 0.54
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
GMNN O75496 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL5755776 0.84 JAK2 (0.68) JAK2TYK2JAK1ROCK2ROCK1
SCHEMBL3924091 0.83 JAK2 (0.56) JAK2TYK2JAK1ROCK2ROCK1
SCHEMBL1666240 0.83 DHODH (0.50) JAK2TYK2JAK1ROCK2ROCK1
SCHEMBL1666251 0.83 NPC1 (0.65) JAK2TYK2EPHX2KMT2AATM
SCHEMBL24363086 0.82 JAK2 (0.58) JAK2TYK2JAK1ROCK2ROCK1
SCHEMBL28072777 0.81 JAK2 (0.67) JAK2TYK2JAK1ROCK2ROCK1
SCHEMBL1027417 0.81 TMPRSS4 (0.56) JAK2TYK2JAK1P2RX1P2RX4
SCHEMBL4499437 0.80 P2RX1 (0.72) JAK2TYK2JAK1P2RX1P2RX4
SCHEMBL12776121 0.80 JAK2 (0.53) JAK2TYK2JAK1P2RX1TMPRSS4
SCHEMBL5369677 0.80 RORC (0.76) JAK2TYK2JAK1P2RX1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486035-B1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL CO (JP) 2015-08-26 EP disclosed
EP-2486035-B1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL CO (JP) 2015-08-26 EP disclosed
US-8742112-B2 Heterocyclic compound and its use for control of an arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-03 US disclosed
US-8742112-B2 Heterocyclic compound and its use for control of an arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-03 US disclosed
EP-2486035-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST Sumitomo Chemical Co., Ltd (JP) 2012-08-15 EP disclosed
US-20120196891-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-02 US disclosed
US-20120196891-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-02 US disclosed
WO-2011043404-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-14 WO disclosed
WO-2011043404-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-14 WO disclosed
WO-2007133820-A2 DIARYL TRIAZOLONES AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-11-22 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 (1 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-20120196891-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST HAAO, DDT, ACHE JAK2 3044/4885TYK2 4334/4885JAK1 2912/4885

“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.