SCHEMBL3433353

SCHEMBL3433353

CCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.41
TSHR P16473 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34
CDK1 P06493 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR6 P50406 1/20 0.34
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8101266 0.87 HTR7 (0.46) HTR7TSHRKCNH3ADRA1DHTR2C
SCHEMBL7978040 0.87 HTR7 (0.46) HTR7TSHRKCNH3ADRA1DHTR2C
SCHEMBL6262284 0.82 KCNH2 (0.32) TSHR
SCHEMBL7992905 0.82 HTR6 (0.45) HTR7TSHRHTR2CHTR6
SCHEMBL6261553 0.82 TSHR (0.33) TSHR
SCHEMBL6265865 0.80 TLR8 (0.35)
SCHEMBL1551285 0.79 HTR7 (0.38) HTR7TSHRADRA1DHTR2CADRA1A
SCHEMBL1551284 0.79 HTR7 (0.38) HTR7TSHRADRA1DHTR2CADRA1A
SCHEMBL1552281 0.79 HTR7 (0.38) HTR7TSHRADRA1DHTR2CADRA1A
SCHEMBL8517250 0.78 TSHR (0.34) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166911-A1 TECHNIQUES FOR TRANSFECTING PROTOPLASTS KEYGENE NV (NL) 2017-06-15 US claimed
EP-2813572-B1 Improved techniques for transfecting protoplasts KEYGENE NV (NL) 2016-04-27 EP claimed
EP-2813572-A2 Improved techniques for transfecting protoplasts Keygene N.V. (NL) 2014-12-17 EP claimed
EP-2516652-B1 Improved techniques for transfecting protoplasts KEYGENE NV (NL) 2014-11-05 EP claimed
US-20130023051-A1 TECHNIQUES FOR TRANSFECTING PROTOPLASTS KEYGENE N.V. 2013-01-24 US claimed
EP-2516652-A1 IMPROVED TECHNIQUES FOR TRANSFECTING PROTOPLASTS Keygene N.V. (NL) 2012-10-31 EP claimed
US-20170280718-A1 HERBICIDAL AND FUNGICIDAL COMPOSITIONS AND THEIR USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-05 US disclosed
US-20170166911-A1 TECHNIQUES FOR TRANSFECTING PROTOPLASTS KEYGENE NV (NL) 2017-06-15 US disclosed
EP-2813572-B1 Improved techniques for transfecting protoplasts KEYGENE NV (NL) 2016-04-27 EP disclosed
WO-2016040521-A1 HERBICIDAL AND FUNGICIDAL COMPOSITIONS AND THEIR USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-17 WO disclosed
EP-2813572-A2 Improved techniques for transfecting protoplasts Keygene N.V. (NL) 2014-12-17 EP disclosed
EP-2516652-B1 Improved techniques for transfecting protoplasts KEYGENE NV (NL) 2014-11-05 EP disclosed
US-20140325709-A1 PROCESS FOR THE PRODUCTION OF FINE CHEMICALS METANOMICS GMBH (DE) 2014-10-30 US disclosed
US-20070066487-A1 Solid formulation BAYER CROPSCIENCE GMBH (DE) 2007-03-22 US disclosed
US-20070054805-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054807-A1 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054806-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
EP-1113720-B1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS BAYER CROPSCIENCE GMBH (DE) 2006-01-11 EP disclosed
EP-1113720-A1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS Aventis CropScience GmbH (DE) 2001-07-11 EP disclosed
WO-2000016627-A1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS AVENTIS CROPSCIENCE GMBH (DE) 2000-03-30 WO 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-20070054806-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 HTR7 4474/4885TSHR 2189/4885KCNH3 3761/4885
US-20070054805-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 HTR7 4543/4885TSHR 1965/4885KCNH3 3703/4885
US-20070066487-A1 Solid formulation SMS, SRM, STS HTR7 3130/4885TSHR 2058/4885KCNH3 1641/4885
US-20070054807-A1 Storage-stable formulations of sulfonamides STS, ARSA, SMS HTR7 3155/4885TSHR 3944/4885KCNH3 2603/4885
US-20170280718-A1 HERBICIDAL AND FUNGICIDAL COMPOSITIONS AND THEIR USES CYP4X1, DDT, CYP4Z1 HTR7 4321/4885TSHR 2993/4885KCNH3 564/4885

“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.