SCHEMBL4463935

SCHEMBL4463935

Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.89
MAPT P10636 1/20 0.81
BTK Q06187 2/20 0.71
KCNK3 O14649 2/20 0.70
P2RX1 P51575 1/20 0.69
LMNA P02545 1/20 0.69
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
HTT P42858 1/20 0.67
RAB9A P51151 1/20 0.67
KCNK9 Q9NPC2 1/20 0.65
RXFP1 Q9HBX9 2/20 0.64
TSHR P16473 1/20 0.64
LCK P06239 1/20 0.62
TEK Q02763 1/20 0.62
POLB P06746 1/20 0.62

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
SCHEMBL2861430 0.94 PTGS1 (1.00) PTGS1MAPTBTKKCNK3P2RX1
SCHEMBL549108 0.90 MAPT (0.73) PTGS1MAPTBTKKCNK3P2RX1
SCHEMBL15846979 0.90 KCNK3 (0.79) PTGS1MAPTBTKKCNK3P2RX1
SCHEMBL4286068 0.90 MAPT (0.94) PTGS1MAPTKCNK3P2RX1LMNA
SCHEMBL6559364 0.87 PTGS1 (1.00) PTGS1MAPTKCNK3P2RX1LMNA
SCHEMBL11307930 0.87 PTGS1 (0.76) PTGS1MAPTKCNK3P2RX1LMNA
SCHEMBL22065212 0.86 PTGS1 (0.80) PTGS1MAPTBTKKCNK3P2RX1
SCHEMBL4476633 0.86 MAPT (0.86) PTGS1MAPTBTKKCNK3P2RX1
SCHEMBL6430912 0.86 MAPT (0.81) PTGS1MAPTKCNK3P2RX1LMNA
SCHEMBL4683413 0.85 KCNK3 (0.88) PTGS1MAPTKCNK3P2RX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US claimed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US claimed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP claimed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO claimed
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 EP disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 US disclosed
WO-2015144926-A1 2-AMINO-1-PHENYL-PYRROLO[3,2-B]QUINOXALINE-3-CARBOXAMIDE DERIVATES Universität Zürich (CH) 2015-10-01 WO disclosed
EP-2924039-A1 2-Amino-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide derivates Universität Zürich (CH) 2015-09-30 EP disclosed
EP-2924039-A1 2-Amino-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide derivates Universität Zürich (CH) 2015-09-30 EP disclosed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
CN-101291938-A Compounds and compositions as protein kinase inhibitors IRM LLC THE SCRIPPS RES INST (BM) 2008-10-22 CN disclosed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP disclosed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO disclosed
EP-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 EP 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-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK PTGS1 3242/4885MAPT 1523/4885BTK 41/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A PTGS1 3681/4885MAPT 2459/4885BTK 594/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A PTGS1 3681/4885MAPT 2459/4885BTK 594/4885

“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.