SCHEMBL178386

SCHEMBL178386

CCc1cc(OC(F)(F)F)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
BACE1 P56817 1/20 0.42
TACR1 P25103 1/20 0.42
WDR5 P61964 1/20 0.42
CXCR2 P25025 2/20 0.41
POLB P06746 1/20 0.41
GPR3 P46089 1/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HSD17B1 P14061 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
SCHEMBL25329351 0.84 ESR1 (0.50) NR1H2NR1H3ESR1ESR2MEN1
SCHEMBL1905592 0.84 MEN1 (0.46) NR1H2NR1H3MEN1MAPTHTT
SCHEMBL6454163 0.83 SLC6A4 (0.54) NR1H2NR1H3MEN1MAPTHTT
SCHEMBL3616439 0.82 KMT2A (0.45) NR1H2NR1H3MEN1MAPTHTT
SCHEMBL13197062 0.81 GABRA1 (0.53) NR1H2NR1H3MEN1MAPTHTT
SCHEMBL178278 0.81 FFAR4 (0.44) NR1H2NR1H3POLBGPR3PTGS1
SCHEMBL16959631 0.81 FFAR4 (0.44) NR1H2NR1H3POLBGPR3PTGS1
SCHEMBL15599254 0.80 PDE2A (0.44) GPR3
SCHEMBL14183052 0.80 CHRM5 (0.46) NR1H2NR1H3POLBGPR3PTGS1
SCHEMBL15780080 0.79 CXCR2 (0.47) NR1H2NR1H3KMT2ACXCR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238183-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2021-08-05 US disclosed
EP-3812387-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS Sumitomo Dainippon Pharma Oncology, Inc. (US) 2021-04-28 EP disclosed
EP-3725775-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2020-10-21 EP disclosed
US-9416132-B2 Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 US disclosed
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 US disclosed
US-8748623-B2 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-10 US disclosed
WO-2013013188-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2013-01-24 WO disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 US disclosed
US-7524841-B2 4,4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-28 US disclosed
US-7524841-B2 4,4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-28 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 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 (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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 NR1H2 4708/4885NR1H3 4800/4885ESR1 2243/4885
US-20210238183-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 NR1H2 4542/4885NR1H3 4704/4885ESR1 2832/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 NR1H2 368/4885NR1H3 348/4885ESR1 2536/4885
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 NR1H2 2047/4885NR1H3 2499/4885ESR1 1106/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 NR1H2 1310/4885NR1H3 1238/4885ESR1 2447/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 NR1H2 4589/4885NR1H3 4634/4885ESR1 2984/4885
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 NR1H2 4586/4885NR1H3 4745/4885ESR1 2475/4885

“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.