SCHEMBL6279836

SCHEMBL6279836

Cc1nc(N)c2ncn(CCCCNC(=O)N3CCOCC3)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
HDAC1 Q13547 7/20 0.39
HDAC2 Q92769 2/20 0.39
BRD4 O60885 1/20 0.38
PIK3R1 P27986 5/20 0.37
PIK3CA P42336 5/20 0.37
MEN1 O00255 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL6098139 0.82 DYRK1A (0.37) ALDH1A1RXFP1
SCHEMBL3929749 0.82 TLR7 (0.47) HTTSMN1; SMN2ALDH1A1HSD17B10DRD2
SCHEMBL6778549 0.81 KDM4E (0.38) HTTSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL6773196 0.80 ALDH1A1 (0.39) KMT2AALDH1A1HDAC1HDAC2
SCHEMBL6773535 0.79 NAAA (0.40) KMT2ASMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL6288799 0.79 HTT (0.44) HTTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6775784 0.78 DRD2 (0.37) SMN1; SMN2ALDH1A1DRD2DRD3BRD4
SCHEMBL6775246 0.78 HDAC1 (0.41) KMT2AALDH1A1HDAC1HDAC2
SCHEMBL6784160 0.78 EPHX1 (0.38) KMT2AALDH1A1ADRA1ABRD4MEN1
SCHEMBL6768483 0.77 DRD3 (0.44) KMT2ASMN1; SMN2ALDH1A1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157879-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-12 US claimed
US-20030195209-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 US claimed
US-20030176458-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US claimed
US-6545017-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US claimed
US-6903113-B2 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-07 US disclosed
EP-1451186-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
US-20040157879-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-12 US disclosed
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US disclosed
US-6716988-B2 1-PHENOXY-3-NITRO- OR AMINO-4-AMINOALKYLCARBAMYL DERIVATIVES; IMMUNE RESPONSE MODIFIERS 3M INNOVATIVE PROPERTIES COMPANY 2004-04-06 US disclosed
US-20030195209-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 US disclosed
US-20030176458-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US disclosed
WO-2003050119-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-6545017-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US 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 (3 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-20030176458-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 HTT 2968/4885KMT2A 3240/4885SMN1; SMN2 3626/4885
US-20030195209-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 HTT 2968/4885KMT2A 3240/4885SMN1; SMN2 3626/4885
US-20040157879-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 HTT 2968/4885KMT2A 3240/4885SMN1; SMN2 3626/4885

“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.