Sugi Predict

Sugi Predict / Compounds / SCHEMBL4840877

SCHEMBL4840877

SCHEMBL4840877

Cc1nc(Cl)n2nc(-c3ccccc3Cl)c(I)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ HSD11B1 P28845 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CRHR1 P34998 1/20 0.37
▸ CNR2 P34972 7/20 0.35
▸ CNR1 P21554 5/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ HAVCR2 Q8TDQ0 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 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
SCHEMBL5386879 0.80 ALDH1A1 (0.46) KMT2AHSD11B1NPC1ALDH1A1LMNA
SCHEMBL4832926 0.79 CNR1 (0.45) KMT2ANPC1ALDH1A1RAB9ACRHR1
SCHEMBL4843180 0.77 XDH (0.47) KMT2ACNR1HSD17B10TP53HAVCR2
SCHEMBL6517585 0.73 CNR1 (0.43) KMT2AHSD11B1CNR1HSD17B10
SCHEMBL5375243 0.71 DPP4 (0.37) HSD11B1NPC1ALDH1A1LMNARAB9A
SCHEMBL4837396 0.71 CNR1 (0.47) ALDH1A1CNR2CNR1HSD17B10
SCHEMBL8261401 0.69 CNR1 (0.45) KMT2ANPC1ALDH1A1RAB9ACRHR1
SCHEMBL8261366 0.69 PTGS1 (0.39) KMT2AHSD11B1NPC1ALDH1A1LMNA
SCHEMBL4833434 0.69 CNR1 (0.43) KMT2AHSD11B1NPC1ALDH1A1LMNA
SCHEMBL4834205 0.68 XDH (0.43) KMT2AALDH1A1

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-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 — — US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 — — US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 — — US disclosed
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 — — EP disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 — — WO disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 — — US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 — — US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 — — 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 (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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KMT2A 3816/4885HSD11B1 2171/4885NPC1 650/4885

“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.