SCHEMBL4956499

SCHEMBL4956499

FC(F)(F)c1ccn(C2CNC2)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.48
HTR2A P28223 10/20 0.48
HTR2B P41595 10/20 0.48
KHK P50053 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.35
IDH1 O75874 3/20 0.35
EIF2AK4 Q9P2K8 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
KCNH2 Q12809 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
SCHEMBL16423522 0.82 KHK (0.44) HTR2CHTR2AHTR2BKHKIRAK4
SCHEMBL950746 0.80 EIF2AK4 (0.40) HTR2CHTR2AHTR2BKHKIDH1
SCHEMBL18704846 0.80 HTR2A (0.35) HTR2CHTR2AHTR2BIDH1EIF2AK4
SCHEMBL28821988 0.79 IRAK4 (0.41) HTR2CHTR2AHTR2BIRAK4IDH1
SCHEMBL22989672 0.79 EIF2AK4 (0.35) HTR2CHTR2AHTR2BKHKIDH1
SCHEMBL21503406 0.79 PRMT6 (0.34) HTR2CHTR2AHTR2BIDH1EIF2AK4
SCHEMBL21503651 0.79 PRMT6 (0.34) HTR2CHTR2AHTR2BIDH1EIF2AK4
SCHEMBL31390069 0.79 HTR2A (0.34) HTR2CHTR2AHTR2BIDH1EIF2AK4
SCHEMBL14636724 0.78 SLC6A2 (0.35) HTR2CHTR2AHTR2BKHKIDH1
Hydrochloric Acid SCHEMBL21492706 0.77 PRMT6 (0.33) HTR2CHTR2AHTR2BIDH1EIF2AK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021027943-A1 PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-02-18 WO disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 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 (1 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-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 HTR2C 3095/4885HTR2A 2229/4885HTR2B 1073/4885

“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.