SCHEMBL2286241

SCHEMBL2286241

Nc1ccc(SC(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 6/20 0.44
PKM P14618 2/20 0.44
MAPT P10636 8/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 8/20 0.39
LMNA P02545 5/20 0.39
SERPINH1 P50454 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HCRTR1 O43613 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
Hydrochloric Acid SCHEMBL4021725 0.97 MAPK1 (0.48) MAPK1CYP3A4TSHRALDH1A1TDP1
SCHEMBL14303350 0.76 SMN1; SMN2 (0.56) MAPK1ALDH1A1KMT2APKMMAPT
SCHEMBL13831900 0.75 SMN1; SMN2 (0.60) ALDH1A1KDM4EKMT2APKMMAPT
SCHEMBL2321466 0.74 LMNA (0.47) ALDH1A1TDP1KDM4EKMT2APKM
SCHEMBL2939873 0.74 MAPK1 (0.50) MAPK1CYP3A4TSHRALDH1A1TDP1
SCHEMBL25314314 0.74 MAPT (0.51) MAPK1CYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL9061256 0.74 SMN1; SMN2 (0.38) ALDH1A1KDM4EKMT2APKMMAPT
SCHEMBL12112004 0.74 MAPK1 (0.50) MAPK1CYP3A4TSHRALDH1A1TDP1
SCHEMBL14303762 0.74 CYP2A6 (0.42) ALDH1A1KMT2APKMMAPTMEN1
SCHEMBL11308059 0.73 ALDH1A1 (0.47) MAPK1CYP3A4TSHRALDH1A1TDP1

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-1848713-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-31 EP claimed
US-20060116407-A1 Amide derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US claimed
WO-2006053778-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-26 WO claimed
EP-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 EP disclosed
US-9278981-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20150183801-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2015-07-02 US disclosed
EP-2858988-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 Novartis AG (CH) 2015-04-15 EP disclosed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP disclosed
WO-2013171640-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 WO disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
US-20040224966-A1 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-11-11 US disclosed
US-20040102630-A1 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2004-05-27 US disclosed
EP-1392662-A1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
WO-2002096888-A1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-05 WO disclosed
EP-0154508-B1 THIOPHENYLUREAS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed
US-4843100-A Benzoylureas, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-27 US disclosed
US-4632938-A INSECTICIDES, OVICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-12-30 US disclosed
EP-0154507-A2 Benzoylureas, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-09-11 EP disclosed
US-4010179-A ANTIMICROBIAL, ANTINEOPLASTIC AMERICAN CYANAMID COMPANY (US) 1977-03-01 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 (4 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-20060116407-A1 Amide derivatives GLS, SDHA, GLS2 MAPK1 3000/4885CYP3A4 50/4885TSHR 3006/4885
US-20040102630-A1 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 MAPK1 171/4885CYP3A4 1916/4885TSHR 3348/4885
US-20040224966-A1 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 MAPK1 174/4885CYP3A4 1946/4885TSHR 3409/4885
US-20150183801-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR MAPK1 365/4885CYP3A4 2217/4885TSHR 4286/4885

“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.