SCHEMBL1092259

SCHEMBL1092259

Cc1ccnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
CCR5 P51681 1/20 0.55
CCR8 P51685 1/20 0.55
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
CYP2A6 P11509 1/20 0.49
PHGDH O43175 2/20 0.43
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.42
METAP2 P50579 1/20 0.41
UHRF1 Q96T88 1/20 0.41
SYK P43405 2/20 0.40
KDM1A O60341 1/20 0.40
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39

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
SCHEMBL19072768 0.93 CCR1 (0.52) CCR1CCR5CCR8ABL1BCR
SCHEMBL2161283 0.86 ABL1 (0.55) CCR1CCR5CCR8ABL1BCR
SCHEMBL13692259 0.85 ABL1 (0.58) CCR1CCR5CCR8ABL1BCR
SCHEMBL19258816 0.83 NOS3 (0.52) ABL1BCRSYKKDM1ANOS3
SCHEMBL16545818 0.81 CCR1 (0.65) CCR1CCR5CCR8ABL1BCR
SCHEMBL13692256 0.81 NOS3 (0.42) ABL1BCRKDM1ANOS3NOS2
SCHEMBL19248528 0.80 SYK (0.41) CCR1CCR5CCR8ABL1BCR
SCHEMBL19072769 0.80 TDP1 (0.43) ABL1BCRKDM1ANOS3NOS2
SCHEMBL15495642 0.78 ABL1 (0.52) CCR1CCR5CCR8ABL1BCR
SCHEMBL20224615 0.77 CCR1 (0.53) CCR1CCR5CCR8ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 US claimed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 US claimed
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY 2006-12-14 US claimed
EP-2016154-B1 ELECTROLUMINESCENT BIS-CYCLOMETALLED IRIDIUM COMPOUNDS AND DEVICES MADE WITH SUCH COMPOUNDS DU PONT (US) 2012-06-13 EP disclosed
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 US disclosed
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 US disclosed
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 US disclosed
US-7737277-B2 Electroluminescent bis-cyclometalled iridium compounds and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-15 US disclosed
US-7595501-B2 fluorinated 2-phenylpyridine compounds complexed with iridium; improved luminescence efficiency E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-09-29 US disclosed
US-7595501-B2 fluorinated 2-phenylpyridine compounds complexed with iridium; improved luminescence efficiency E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-09-29 US disclosed
US-20090206326-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPRYIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS LG CHEM, LTD. (KR) 2009-08-20 US disclosed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 US disclosed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 US disclosed
EP-2016154-A2 ELECTROLUMINESCENT BIS-CYCLOMETALLED IRIDIUM COMPOUNDS AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-01-21 EP disclosed
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 US disclosed
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 US disclosed
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 US disclosed
WO-2007133523-A2 ELECTROLUMINESCENT BIS-CYCLOMETALLED IRIDIUM COMPOUNDS AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-11-22 WO disclosed
US-20070259205-A1 Electroluminescent bis-cyclometalled iridium compounds and devices made with such compounds E. I. DU PONT DE NEMOURS AND COMPANY 2007-11-08 US disclosed
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY 2006-12-14 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 (3 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-20090206326-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPRYIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS QDPR, DPYD, KCNQ5 CCR1 3498/4885CCR5 2019/4885CCR8 3382/4885
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids DDT, AHR, DDC CCR1 3906/4885CCR5 3482/4885CCR8 4471/4885
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids DDT, AHR, DDC CCR1 3906/4885CCR5 3482/4885CCR8 4471/4885

“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.