SCHEMBL6287410

SCHEMBL6287410

Cc1nc(N)c2nc(C)n(CCCNC(=S)NC(=O)c3ccco3)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
RAB9A P51151 5/20 0.45
ALOX12 P18054 1/20 0.45
NPC1 O15118 4/20 0.43
GAA P10253 3/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL6778285 0.95 RAB9A (0.47) ALDH1A1RAB9AALOX12NPC1GAA
SCHEMBL6286172 0.88 ALDH1A1 (0.45) ALDH1A1RAB9AALOX12NPC1GAA
SCHEMBL6776668 0.81 SMN1; SMN2 (0.44) ALDH1A1RAB9AALOX12NPC1GAA
SCHEMBL6782569 0.81 SMN1; SMN2 (0.44) ALDH1A1RAB9AALOX12NPC1GAA
SCHEMBL6670803 0.79 TP53 (0.34) ALDH1A1GAALMNATHRBHPGD
SCHEMBL6774292 0.78 ALDH1A1 (0.47) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL6779314 0.78 QPCT (0.45) ALDH1A1ALOX12GAAPKMMAPT
SCHEMBL6772471 0.77 HPGD (0.46) GAALMNAKMT2AMEN1HPGD
SCHEMBL6094589 0.76 DYRK1A (0.37) KDM4E
SCHEMBL6774104 0.74 POLB (0.44) RAB9ANPC1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-6903113-B2 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-07 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
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 (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-20030176458-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 ALDH1A1 1975/4885RAB9A 2677/4885ALOX12 4129/4885
US-20030195209-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 ALDH1A1 1975/4885RAB9A 2677/4885ALOX12 4129/4885

“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.