SCHEMBL4845217

SCHEMBL4845217

Brc1cncc(Nc2ccc3cccnc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
NR4A2 P43354 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
KDR P35968 2/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
BAZ1A Q9NRL2 1/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL21101485 0.77 ALDH1A1 (0.58) CYP1A2CYP2C19HTTMEN1KMT2A
SCHEMBL4848136 0.75 TRPV1 (0.61) MEN1KMT2ATRPV1KDR
SCHEMBL23087526 0.74 KDR (0.60) CYP1A2HTTMEN1KMT2AHDAC6
SCHEMBL4198986 0.71 EGFR (0.46) MEN1KMT2ANPC1KDRRAB9A
SCHEMBL4147660 0.71 HSD17B10 (0.48) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28242830 0.71 NPC1 (0.67) CYP1A2CYP2C19HTTMEN1KMT2A
SCHEMBL24703329 0.71 TRPV1 (0.67) CYP1A2CYP2C19HTTMEN1KMT2A
SCHEMBL440439 0.70 HTT (1.00) CYP1A2CYP2C19HTTMEN1KMT2A
SCHEMBL29361503 0.70 HTT (1.00) CYP1A2CYP2C19HTTMEN1KMT2A
SCHEMBL21282168 0.70 PIK3CA (0.48) MEN1KMT2AALDH1A1TRPV1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed
EP-1670794-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2006-06-21 EP disclosed
US-20050153984-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-07-14 US disclosed
WO-2005033105-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-04-14 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-20050153984-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CYP1A2 2081/4885CYP2C19 1280/4885HTT 1747/4885

“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.