SCHEMBL2610400

SCHEMBL2610400

Cc1cc(C(F)F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.50
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DYRK1A Q13627 1/20 0.37
AAK1 Q2M2I8 7/20 0.37
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CIT O14578 1/20 0.35
PRKCB P05771 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MYLK2 Q9H1R3 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
AURKC Q9UQB9 1/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35

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
SCHEMBL15491236 0.89 UHRF1 (0.48) UHRF1HDAC4HDAC1HDAC6DYRK1A
SCHEMBL30490644 0.84 UHRF1 (0.52) UHRF1HDAC4HDAC1HDAC6DYRK1A
SCHEMBL84469 0.84 UHRF1 (0.52) UHRF1HDAC4HDAC1HDAC6DYRK1A
SCHEMBL17000190 0.80 UHRF1 (0.48) UHRF1HDAC4HDAC1HDAC6DYRK1A
SCHEMBL20508491 0.80 UHRF1 (0.48) UHRF1HDAC4HDAC1HDAC6DYRK1A
SCHEMBL19846691 0.80 UHRF1 (0.48) UHRF1HDAC4HDAC1HDAC6DYRK1A
SCHEMBL4327140 0.80 UHRF1 (0.48) UHRF1HDAC4HDAC1HDAC6DYRK1A
SCHEMBL21762132 0.80 UHRF1 (0.48) UHRF1HDAC4HDAC1HDAC6DYRK1A
SCHEMBL17198732 0.80 UHRF1 (0.48) UHRF1HDAC4HDAC1HDAC6DYRK1A
SCHEMBL28234404 0.80 UHRF1 (0.48) UHRF1HDAC4HDAC1HDAC6DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780861-B2 Phosphine reagents for azine fluoroalkylation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-10-10 US disclosed
EP-3889150-A1 COMPOUND SERVING AS IRAK INHIBITOR Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2021-10-06 EP disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
EP-2941426-B1 SUBSTITUTED PYRIMIDINE AMINOALKYL-QUINAZOLONES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-06-13 EP disclosed
US-9738634-B2 Heterocyclic amide compound and herbicide SYNGENTA PARTICIPATIONS AG (CH) 2017-08-22 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-20160221998-A1 HETEROCYCLIC AMIDE COMPOUND AND HERBICIDE SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
EP-3045455-A1 HETEROCYCLIC AMIDE COMPOUND AND HERBICIDE Syngenta Participations AG (CH) 2016-07-20 EP disclosed
WO-2014105664-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2014-07-03 WO disclosed
WO-2014101113-A1 PIPERAZINE-SUBSTITUTED 7-METHOXY-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2014-07-03 WO disclosed
US-20140179673-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 US disclosed
WO-2014100765-A1 SUBSTITUTED PYRIMIDINE AMINOALKYL-QUINAZOLONES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 WO disclosed
US-20140057916-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
EP-2370442-B9 3-Aminocyclopentanecarboxamides as chemokine receptor modulators PFIZER (US) 2013-09-04 EP disclosed
US-20130197008-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS CHEMOKINE RECEPTOR AGONISTS PFIZER INC. (US) 2013-08-01 US disclosed
EP-2370442-B1 3-Aminocyclopentanecarboxamides as chemokine receptor modulators PFIZER (US) 2013-04-24 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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-20130197008-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS CHEMOKINE RECEPTOR AGONISTS ACKR3, CCR2, CCR5 UHRF1 4877/4885HDAC4 2656/4885HDAC1 1405/4885
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS UHRF1 3487/4885HDAC4 1929/4885HDAC1 821/4885
US-20140179673-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 UHRF1 4195/4885HDAC4 1752/4885HDAC1 593/4885
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 UHRF1 3348/4885HDAC4 1764/4885HDAC1 813/4885
US-20160221998-A1 HETEROCYCLIC AMIDE COMPOUND AND HERBICIDE GLRA1, RER1, H1-4 UHRF1 1654/4885HDAC4 144/4885HDAC1 101/4885
US-20140057916-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, SERPINB6 UHRF1 4482/4885HDAC4 896/4885HDAC1 571/4885
US-11780861-B2 Phosphine reagents for azine fluoroalkylation PTPN3, PHOSPHO1, SKIC3 UHRF1 4177/4885HDAC4 2506/4885HDAC1 3370/4885

“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.