SCHEMBL2642973

SCHEMBL2642973

O=C(c1c[nH]c2cc(Br)ccc12)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
PIM3 Q86V86 1/20 0.48
CYP2A6 P11509 1/20 0.47
NR4A2 P43354 2/20 0.46
CDK2 P24941 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
DYRK1A Q13627 2/20 0.42
IMPDH2 P12268 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRB2 P47870 1/20 0.40
IDO1 P14902 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
SCHEMBL13505907 0.88 MAPK1 (0.62) MAPK1PIM3NR4A2GABRA1GABRB1
SCHEMBL8889068 0.84 CYP2A6 (0.47) MAPK1CYP2A6NR4A2ADRA1AADRA1B
SCHEMBL2643076 0.83 MAPK1 (0.64) MAPK1PIM3MEN1ALDH1A1CYP1A2
SCHEMBL30914308 0.82 CYP2A6 (0.54) CYP2A6NR4A2CDK2ADRA1AADRA1B
SCHEMBL497998 0.82 CYP2A6 (0.54) CYP2A6NR4A2CDK2ADRA1AADRA1B
SCHEMBL2133676 0.81 MEN1 (0.65) MAPK1PIM3CDK2MEN1ALDH1A1
SCHEMBL613310 0.81 MAPK1 (0.62) MAPK1PIM3NR4A2MEN1ALDH1A1
SCHEMBL14631607 0.81 MAPK1 (0.62) MAPK1PIM3NR4A2MEN1ALDH1A1
SCHEMBL29644278 0.81 MEN1 (0.65) MAPK1PIM3CDK2MEN1ALDH1A1
SCHEMBL2643312 0.81 MAPK1 (0.62) MAPK1PIM3NR4A2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603120-A Preparation method and application of indole-3-fluoroketone compound 平顶山学院 2024-02-27 CN disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 WO disclosed
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 WO disclosed
EP-3083588-B1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO LTD (CN) 2020-12-09 EP disclosed
EP-3632910-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-04-08 EP disclosed
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20190085005-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-03-21 US disclosed
US-10100072-B2 Phosphonate compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-10-16 US disclosed
EP-2548864-B1 NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIV JOSEPH FOURIER (FR) 2014-02-19 EP disclosed
WO-2013124026-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
WO-2013014102-A1 BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIVERSITE JOSEPH FOURIER (FR) 2013-01-31 WO disclosed
EP-2548864-A1 NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG Université Joseph Fourier (FR) 2013-01-23 EP disclosed
WO-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 WO disclosed
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
EP-1549638-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-06 EP disclosed
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 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 (5 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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 MAPK1 559/4885PIM3 4635/4885CYP2A6 1550/4885
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK MAPK1 1197/4885PIM3 734/4885CYP2A6 1776/4885
US-10100072-B2 Phosphonate compounds for treatment of complement mediated disorders CFD, TFPI, C1QBP MAPK1 485/4885PIM3 2930/4885CYP2A6 4799/4885
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders CFD, TFPI, C1QBP MAPK1 485/4885PIM3 2930/4885CYP2A6 4799/4885
US-20190085005-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP MAPK1 485/4885PIM3 2930/4885CYP2A6 4799/4885

“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.