Sugi Predict

Sugi Predict / Compounds / SCHEMBL1862939

SCHEMBL1862939

SCHEMBL1862939

Cc1cc(Nc2ncc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)O)cc3Cl)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.38
▸ CSNK2A2 P19784 2/20 0.37
▸ CSNK2B P67870 2/20 0.37
▸ NPC1 O15118 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GUSB P08236 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CSNK2A1 P68400 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 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
SCHEMBL1867627 0.89 TRPV1 (0.47) TRPV1NPC1MAPTGAARAB9A
SCHEMBL1858201 0.86 TRPV1 (0.38) TRPV1CSNK2A2CSNK2BKDM4EGAA
SCHEMBL1861308 0.85 SYK (0.34) TRPV1CSNK2A2CSNK2BNPC1MAPT
SCHEMBL3961094 0.84 TRPV1 (0.44) TRPV1GAAHDAC3HDAC1HDAC2
SCHEMBL12629654 0.79 TRPV1 (0.49) TRPV1NPC1MAPTKDM4EGUSB
SCHEMBL1863039 0.78 TRPV1 (0.49) TRPV1GAAALDH1A1HDAC3HDAC1
SCHEMBL1866427 0.77 TRPV1 (0.54) TRPV1
SCHEMBL1869133 0.76 TRPV1 (0.48) TRPV1GAARAB9A
SCHEMBL12629686 0.76 TRPV1 (0.45) TRPV1RAB9A
SCHEMBL1862250 0.75 TRPV1 (0.46) TRPV1GAA

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-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 — — US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 — — US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 — — US disclosed
EP-1811845-A4 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORP (US) 2009-07-15 — — EP disclosed
EP-1811845-A2 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2007-08-01 — — EP disclosed
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-05-25 — — US disclosed
WO-2006042289-A2 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-20 — — 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-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues PIGS, GPR52, GPR174 TRPV1 549/4885CSNK2A2 1109/4885CSNK2B 1406/4885

“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.