SCHEMBL5741563

SCHEMBL5741563

CC(C)(C)c1ccc(Nc2ncnc3cc(Cl)ccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
KDR P35968 3/20 0.55
FLT1 P17948 1/20 0.55
FYN P06241 2/20 0.53
CNR1 P21554 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EGFR P00533 11/20 0.52
SRC P12931 2/20 0.52
FADS1 O60427 1/20 0.49
IGF1R P08069 1/20 0.48
EPHB4 P54760 1/20 0.48
LCK P06239 1/20 0.48
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48

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
SCHEMBL11090480 0.87 KDM4E (0.66) KDRFLT1CNR1KDM4EMEN1
SCHEMBL5739752 0.86 CNR1 (0.69) TRPV1KDRFLT1CNR1KDM4E
Hydrochloric Acid SCHEMBL11087390 0.86 KDM4E (0.64) KDRFLT1CNR1KDM4EMEN1
SCHEMBL11091766 0.85 MAPK1 (0.62) KDRFLT1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL11087905 0.83 MAPK1 (0.65) KDRFLT1KDM4EMEN1ALDH1A1
SCHEMBL29236930 0.82 ABCG2 (0.64) KDRFLT1KDM4EMEN1ALDH1A1
SCHEMBL11084344 0.81 EGFR (0.70) KDRKDM4EMEN1ALDH1A1LMNA
SCHEMBL11083409 0.81 EGFR (0.67) KDRFLT1KDM4EMEN1ALDH1A1
SCHEMBL11079708 0.81 LMNA (0.56) KDRFLT1KDM4EMEN1ALDH1A1
SCHEMBL18292382 0.80 MAP4K4 (0.62) KDRFLT1CNR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 US claimed
EP-1678149-A2 4-AMINO(AZA)QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2006-07-12 EP claimed
WO-2005042498-A2 4-AMINO (AZA) QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2005-05-12 WO claimed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 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-20060194805-A1 Capsaicin receptor agonists TRPV1, HCAR1, CNR1 TRPV1 1/4885KDR 952/4885FLT1 1802/4885

“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.