SCHEMBL290778

SCHEMBL290778

CNc1sc(-c2cccnc2)nc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.59
CYP1A2 P05177 4/20 0.59
CYP2C19 P33261 6/20 0.57
LMNA P02545 1/20 0.57
CYP2C9 P11712 5/20 0.51
CYP2A6 P11509 4/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2E1 P05181 3/20 0.51
CYP2B6 P20813 3/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
ALOX5 P09917 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP19A1 P11511 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AXL P30530 1/20 0.45

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 SCHEMBL17629267 0.98 CYP3A4 (0.58) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL12289747 0.88 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL21182466 0.85 CYP3A4 (0.54) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL289945 0.84 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL290428 0.84 CYP3A4 (0.64) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL13047816 0.83 CYP1A2 (0.62) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL290740 0.82 CYP3A4 (0.62) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL16653434 0.82 CYP3A4 (0.51) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL266592 0.81 CYP3A4 (0.61) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL19936405 0.81 SMN1; SMN2 (0.54) LMNAMEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853583-B Method for synthesizing perfluoro-hexanone by copper catalysis 西安通昱科创集团有限公司 2024-04-02 CN claimed
CN-114853583-A Method for synthesizing perfluorohexanone by copper catalysis 西安通昱科创集团有限公司 2022-08-05 CN claimed
CN-114853583-B Method for synthesizing perfluoro-hexanone by copper catalysis 西安通昱科创集团有限公司 2024-04-02 CN disclosed
EP-3197276-B1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 EP disclosed
EP-3197276-B1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 EP disclosed
US-11470846-B2 Herbicidal pyridino-/pyrimidino-thiazoles SYNGENTA PARTICIPATIONS AG (CH) 2022-10-18 US disclosed
CN-114853583-A Method for synthesizing perfluorohexanone by copper catalysis 西安通昱科创集团有限公司 2022-08-05 CN disclosed
US-20200253208-A1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 US disclosed
US-20200253208-A1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 US disclosed
US-20170290337-A1 Herbicidal Pyridino-/Pyrimidino-Thiazoles SYNGENTA PARTICIPATIONS AG (CH) 2017-10-12 US disclosed
US-20170290337-A1 Herbicidal Pyridino-/Pyrimidino-Thiazoles SYNGENTA PARTICIPATIONS AG (CH) 2017-10-12 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
EP-2427191-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-03-14 EP disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 WO disclosed
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 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-20170290337-A1 Herbicidal Pyridino-/Pyrimidino-Thiazoles PDXK, PLPBP, DDT CYP3A4 716/4885CYP1A2 136/4885CYP2C19 406/4885
US-20100292253-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP3A4 1402/4885CYP1A2 327/4885CYP2C19 1003/4885
US-11470846-B2 Herbicidal pyridino-/pyrimidino-thiazoles PDXK, PLPBP, DDT CYP3A4 716/4885CYP1A2 136/4885CYP2C19 406/4885
US-20200253208-A1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES PDXK, PLPBP, DDT CYP3A4 716/4885CYP1A2 136/4885CYP2C19 406/4885

“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.