SCHEMBL3280452

SCHEMBL3280452

CC1CCN(c2cc(-c3ncccn3)nc(Cl)c2-c2c(F)cccc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSD11B1 P28845 2/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP4K1 Q92918 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL13385468 0.92 METAP1 (0.40) HTTALDH1A1JAK2TYK2HSD11B1
SCHEMBL3281623 0.84 KMT2A (0.39) HTTALDH1A1HSD11B1TSHRNPSR1
SCHEMBL3276748 0.77 SMN1; SMN2 (0.40) HTTJAK2SMN1; SMN2NPC1PPP1CA
SCHEMBL13385466 0.76 SMO (0.42) HTTHSD11B1HCRTR1HCRTR2TSHR
SCHEMBL5250958 0.74 TRPV1 (0.35) HTTALDH1A1JAK2TYK2HSD11B1
SCHEMBL14500980 0.74 CDK2 (0.35) HTTALDH1A1JAK2TYK2TSHR
SCHEMBL344327 0.74 TSHR (0.46) HTTALDH1A1GLATSHRNPSR1
SCHEMBL5779311 0.72 TRPV1 (0.35) HTTALDH1A1HSD11B1GLATSHR
SCHEMBL4814547 0.72 TRPV1 (0.35) HTTALDH1A1HSD11B1GLATSHR
SCHEMBL27543784 0.71 TRPV1 (0.39) ALDH1A1HSD11B1TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695728-B2 2-substituted pyridines, processes for their preparation and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
US-7695728-B2 2-substituted pyridines, processes for their preparation and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
US-7695728-B2 2-substituted pyridines, processes for their preparation and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
EP-1761516-B1 2, 4, 5, 6-SUBSTITUTED PYRIMIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AG (DE) 2007-11-28 EP disclosed
US-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi BASF AKIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
US-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi BASF AKIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
US-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi BASF AKIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
EP-1761516-A1 2, 4, 5, 6-SUBSTITUTED PYRIMIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-03-14 EP disclosed
WO-2006000358-A1 2, 4, 5, 6-SUBSTITUTED PYRIMIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 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-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi CYP4X1, CYCS, CYP2S1 HTT 3132/4885ALDH1A1 2365/4885JAK2 2503/4885

“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.