SCHEMBL515651

SCHEMBL515651

COc1ccnc(-c2ccc(F)cc2F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.59
CCR5 P51681 1/20 0.59
CCR8 P51685 1/20 0.59
TRPA1 O75762 2/20 0.47
KMO O15229 2/20 0.46
CHRNA7 P36544 2/20 0.45
AMY1A P0DUB6 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
TGFBR1 P36897 3/20 0.43
ALPL P05186 1/20 0.43
KCNH2 Q12809 2/20 0.41
PLAU P00749 1/20 0.41
NPY5R Q15761 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL27592804 0.87 CCR1 (0.59) CCR1CCR5CCR8TRPA1NPC1
SCHEMBL13985936 0.85 CCR1 (0.66) CCR1CCR5CCR8TRPA1CHRNA7
SCHEMBL13950331 0.83 KMO (0.46) CCR1CCR5CCR8KMONPC1
SCHEMBL9569010 0.82 CCR1 (0.53) CCR1CCR5CCR8TRPA1AMY1A
SCHEMBL29445848 0.81 KMO (0.54) TRPA1KMONPC1RAB9ATGFBR1
SCHEMBL19072696 0.81 KMO (0.54) TRPA1KMONPC1RAB9ATGFBR1
SCHEMBL27322683 0.80 CCR1 (0.63) CCR1CCR5CCR8TRPA1CHRNA7
SCHEMBL9538699 0.80 CCR1 (0.50) CCR1CCR5CCR8TRPA1CHRNA7
SCHEMBL14280366 0.79 TRPA1 (0.45) CCR1CCR5CCR8TRPA1CHRNA7
SCHEMBL12828417 0.78 CCR1 (0.56) CCR1CCR5CCR8CHRNA7AMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US disclosed
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir UNIV SOUTHERN CALIFORNIA (US) 2020-12-10 US disclosed
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2020-08-11 US disclosed
EP-3109238-B1 PHENYL-PYRAZOLE COMPLEXES OF IRIDIUM UNIV SOUTHERN CALIFORNIA (US) 2019-09-18 EP disclosed
US-20180019413-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2018-01-18 US disclosed
EP-1966343-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
US-9583720-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-02-28 US disclosed
EP-3109238-A1 PHENYL-PYRAZOLE COMPLEXES OF IRIDIUM University of Southern California (US) 2016-12-28 EP disclosed
EP-2062908-B1 Transition metal complexes comprising pyrazolylcarbazole ligands UNIV SOUTHERN CALIFORNIA (US) 2016-07-13 EP disclosed
US-7338722-B2 Iridium; phosphorescent, electroluminescent efficiencies in organic light emitting device; longer lifetimes, stability, efficiency in red, green and blue; one ligand has triplet energy corresponding to a wavelength 80 nm greater than wavelength corresponding to triplet energy of the other ligands; THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-03-04 US disclosed
US-7166368-B2 Electroluminescent platinum compounds and devices made with such compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-23 US disclosed
US-20050233234-A1 Electroluminescent platinum compounds and devices made with such compounds LECLOUX DANIEL D 2005-10-20 US disclosed
US-6858327-B2 Organic light emitting materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2005-02-22 US disclosed
US-20040253478-A1 Iridium; phosphorescent, electroluminescent efficiencies in organic light emitting device; longer lifetimes, stability, efficiency in red, green and blue; one ligand has triplet energy corresponding to a wavelength 80 nm greater than wavelength corresponding to triplet energy of the other ligands; UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2004-12-16 US disclosed
EP-1442095-A1 ELECTROLUMINESCENT PLATINUM COMPOUNDS AND DEVICES MADE WITH SUCH COMPOUNDS E. I. du Pont de Nemours and Company (US) 2004-08-04 EP disclosed
WO-2004045001-A2 ORGANIC LIGHT EMITTING MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2004-05-27 WO disclosed
US-20040091738-A1 Organic light emitting materials and devices UNIVERSAL DISPLAY CORPORATION 2004-05-13 US disclosed
US-20030108771-A1 Electroluminescent platinum compounds and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY 2003-06-12 US disclosed
WO-2003040257-A1 ELECTROLUMINESCENT PLATINUM COMPOUNDS AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-15 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CCR1 4747/4885CCR5 4713/4885CCR8 4837/4885
US-20050233234-A1 Electroluminescent platinum compounds and devices made with such compounds PMS2, PARG, PAX2 CCR1 3449/4885CCR5 2012/4885CCR8 2436/4885
US-20040253478-A1 Iridium; phosphorescent, electroluminescent efficiencies in organic light emitting device; longer lifetimes, stability, efficiency in red, green and blue; one ligand has triplet energy corresponding to a wavelength 80 nm greater than wavelength corresponding to triplet energy of the other ligands; NR2E3, IK, NR2C2 CCR1 988/4885CCR5 823/4885CCR8 1957/4885
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir EML4, RCOR3, CPNE4 CCR1 2249/4885CCR5 3026/4885CCR8 2069/4885
US-20180019413-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexes of Ir EML4, AFF4, RCOR3 CCR1 2588/4885CCR5 3017/4885CCR8 2515/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CCR1 878/4885CCR5 1779/4885CCR8 1558/4885
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir EML4, AFF4, RCOR3 CCR1 2588/4885CCR5 3017/4885CCR8 2515/4885

“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.