Sugi Predict

Sugi Predict / Compounds / SCHEMBL842220

SCHEMBL842220

SCHEMBL842220

Cc1nc(Oc2ccccc2)c(N)c(NCC(C)C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ ESR1 P03372 3/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL5117067 0.92 MAPT (0.39) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL4772034 0.81 HTR7 (0.42) ALDH1A1
SCHEMBL6220955 0.80 FPR2 (0.33) MAPTLMNAALDH1A1HTTADORA2A
SCHEMBL842636 0.80 PIN1 (0.39) MAPTGAALMNAALDH1A1HTT
SCHEMBL1232835 0.79 ALDH1A1 (0.36) MAPTLMNAALDH1A1HTTCYP1A2
SCHEMBL5340240 0.77 RXRA (0.38) KDM4EALDH1A1
SCHEMBL1232939 0.77 TOP2A (0.37) KDM4EALDH1A1
SCHEMBL28753431 0.77 TOP2A (0.37) ALDH1A1
SCHEMBL7247349 0.77 CYP1A2 (0.42) MAPTLMNAALDH1A1ALOX12HRH4
SCHEMBL6093663 0.76 POLB (0.38) MAPTLMNAALDH1A1HTTCYP1A2

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
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 — — US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 — — EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 — — US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 — — US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 — — EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 — — WO disclosed
WO-2006009832-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 — — WO disclosed
WO-2005123079-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 — — 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 (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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 MAPT 4499/4885KDM4E 3339/4885GAA 3354/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 MAPT 4419/4885KDM4E 2804/4885GAA 3476/4885

“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.