SCHEMBL3240959

SCHEMBL3240959

Nc1c(Cl)cc(Cl)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL7520401 0.82 CYP3A4 (0.36) ADRB2ADRB1CYP3A4ALDH1A1TSHR
SCHEMBL2434618 0.82 CYP3A4 (0.56) ADRB2ADRB1CYP3A4ALDH1A1TSHR
SCHEMBL10215752 0.80 ADRB2 (0.41) ADRB2ADRB1CYP3A4TSHRGLA
SCHEMBL11694963 0.80 ADRB2 (0.43) ADRB2ADRB1CYP3A4ALDH1A1POLB
SCHEMBL29778819 0.80 ADRB2 (0.43) ADRB2ADRB1CYP3A4ALDH1A1TSHR
SCHEMBL21603537 0.80 ADRB2 (0.43) ADRB2ADRB1CYP3A4ALDH1A1TSHR
SCHEMBL14300440 0.78 ADRB2 (0.42) ADRB2ADRB1CYP3A4ALDH1A1TSHR
SCHEMBL18007552 0.78 ALDH1A1 (0.37) ADRB2ADRB1CYP3A4ALDH1A1TSHR
SCHEMBL12069198 0.78 GLA (0.33) ADRB2ADRB1CYP3A4TSHRGLA
SCHEMBL1000064 0.78 ADRB2 (0.42) ADRB2ADRB1CYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
EP-0912492-B1 METHOD FOR PREPARING HALOGENATED 2-AMINO OR 2-ACETAMIDO TRIFLUOROMETHYLBENZENE DERIVATIVES RHODIA CHIMIE SA (FR) 2002-09-25 EP claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US disclosed
EP-2734526-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-04-06 EP disclosed
US-9221832-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-29 US disclosed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP disclosed
EP-1282606-B1 HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES JANSSEN PHARMACEUTICA NV (BE) 2015-04-22 EP disclosed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US disclosed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP disclosed
WO-1998002409-A1 METHOD FOR PREPARING HALOGENATED 2-AMINO OR 2-ACETAMIDO TRIFLUOROMETHYLBENZENE DERIVATIVES RHODIA CHIMIE (FR) 1998-01-22 WO disclosed
EP-0280156-B1 PROCESS FOR THE PREPARATION OF ACETOACETYLARYLAMIDES-HETEROARYLAMIDES RESPECTIVELY OF DEACTIVED AROMATIC COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
EP-0280156-A2 Process for the preparation of acetoacetylarylamides-heteroarylamides respectively of deactived aromatic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-31 EP disclosed
EP-0043795-B1 MONOAZO COMPOUNDS CIBA-GEIGY AG (CH) 1984-08-01 EP disclosed
US-4448719-A TEXTILES; COLORFAST CIBA-GEIGY CORPORATION (US) 1984-05-15 US disclosed
EP-0043795-A2 Monoazo compounds CIBA-GEIGY AG (CH) 1982-01-13 EP disclosed
US-4008278-A FROM AN AMINO-BENZOTRIFLUORIDE AND A HALOGEN SOURCE OLIN CORPORATION (US) 1977-02-15 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 (2 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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 ADRB2 282/4885ADRB1 173/4885CYP3A4 174/4885
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 ADRB2 157/4885ADRB1 102/4885CYP3A4 748/4885

“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.