SCHEMBL503326

SCHEMBL503326

Nc1cc(C(F)(F)F)c(I)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
CA2 P00918 1/20 0.41
CHKA P35790 1/20 0.41
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
MTOR P42345 11/20 0.39
PIK3CA P42336 10/20 0.39
PIK3C2B O00750 2/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PRKDC P78527 2/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
RICTOR Q6R327 1/20 0.39
RPTOR Q8N122 1/20 0.39
MAPKAP1 Q9BPZ7 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
BACE1 P56817 1/20 0.38
CFTR P13569 1/20 0.37

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
SCHEMBL1440021 0.83 PIK3CD (0.41) PIK3CDCA2CHKANOS3NOS2
SCHEMBL31214077 0.83 PIK3CD (0.41) PIK3CDCA2CHKANOS3NOS2
SCHEMBL16712832 0.80 CA2 (0.45) PIK3CDCA2CHKANOS3NOS2
SCHEMBL600673 0.79 PIK3CD (0.49) PIK3CDCA2CHKANOS3NOS2
SCHEMBL29498290 0.78 CA2 (0.43) PIK3CDCA2CHKANOS3NOS2
Hydrochloric Acid SCHEMBL601414 0.78 PIK3CD (0.47) PIK3CDCA2CHKANOS3NOS2
SCHEMBL25933187 0.77 TRPV4 (0.39) CA2CHKACFTR
SCHEMBL7916895 0.77 HPGD (0.36) PIK3CACFTR
SCHEMBL857498 0.75 PIK3CD (0.41) PIK3CDCA2CHKANOS3NOS2
SCHEMBL29899421 0.75 NOS3 (0.56) PIK3CDCA2CHKANOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608323-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-03-21 US disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 EP disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 EP disclosed
CN-111961033-A Herbicidal compounds 先正达参股股份有限公司 2020-11-20 CN disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 US disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 US disclosed
EP-3060558-B1 PYRIDINYLIMIDAZOLONES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-09-12 EP disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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 (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-20190112288-A1 HERBICIDAL COMPOUNDS DDT, RDX, CBR3 PIK3CD 3130/4885CA2 1540/4885CHKA 4367/4885
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 PIK3CD 2910/4885CA2 4331/4885CHKA 2828/4885
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 PIK3CD 2750/4885CA2 4391/4885CHKA 2736/4885
US-11608323-B2 Herbicidal compounds DDT, RDX, CBR3 PIK3CD 3130/4885CA2 1540/4885CHKA 4367/4885

“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.