SCHEMBL2852804

SCHEMBL2852804

COc1ccc2nc(Cl)cc(C(F)(F)F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
MAPT P10636 2/20 0.45
CDK2 P24941 1/20 0.45
CLK1 P49759 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SLC2A1 P11166 1/20 0.45
NT5E P21589 1/20 0.44
KDM4E B2RXH2 4/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
RAD52 P43351 1/20 0.43
AR P10275 4/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30545107 0.88 ALDH1A1 (0.45) ABCC8KCNJ11NPSR1NT5EKDM4E
SCHEMBL6033081 0.88 ALDH1A1 (0.45) ABCC8KCNJ11NPSR1NT5EKDM4E
SCHEMBL1161734 0.83 POLB (0.57) ABCC8KCNJ11NPSR1SLC2A1KDM4E
SCHEMBL6652546 0.82 ABCC8 (0.47) ABCC8KCNJ11MAPTCDK2CLK1
SCHEMBL1289627 0.80 KDM4E (0.46) CLK1SLC2A1KDM4EHTTTP53
SCHEMBL29420513 0.79 SMN1; SMN2 (0.48) SLC2A1KDM4EHTTTP53SMN1; SMN2
SCHEMBL10914959 0.79 AR (0.44) MAPTCDK2NT5EKDM4EHTT
SCHEMBL830265 0.79 SMN1; SMN2 (0.48) SLC2A1KDM4EHTTTP53SMN1; SMN2
SCHEMBL21864833 0.78 AR (0.52) ARMEN1KMT2A
SCHEMBL2539829 0.78 KDM4E (0.60) MAPTSLC2A1KDM4EHTTSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146151-A 4-Trifluoromethyl substituted quinoline and quinazoline compound and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2024-06-07 CN disclosed
WO-2020063854-A1 QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS 南京明德新药研发有限公司 2020-04-02 WO disclosed
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 CN disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 EP 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 ABCC8 336/4885KCNJ11 1448/4885MAPT 3150/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 ABCC8 453/4885KCNJ11 924/4885MAPT 3522/4885

“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.