SCHEMBL3877530

SCHEMBL3877530

Clc1cc(Oc2cccc3ncccc23)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.42
SCN9A Q15858 1/20 0.41
NR3C1 P04150 3/20 0.41
CDC7 O00311 1/20 0.38
DAPK3 O43293 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
FLT3 P36888 1/20 0.38
CDK8 P49336 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3B P49841 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
PRKX P51817 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
PKN2 Q16513 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
HIPK2 Q9H2X6 1/20 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
SCHEMBL3875440 0.90 KDR (0.42) BRAFKDM4EMAPTPDE4APDE4B
SCHEMBL16430764 0.80 MEN1 (0.47) BRAFSCN9ANR3C1CDC7DAPK3
SCHEMBL3874678 0.78 KDM4E (0.63) KDM4EPOLBMAPTGAA
SCHEMBL1122587 0.76 BRAF (0.55) BRAFSCN9ANR3C1KDM4EMAPT
SCHEMBL3873190 0.75 KCNA3 (0.45) BRAFSCN9ANR3C1KDM4E
SCHEMBL1285186 0.75 CYP1A2 (0.44) BRAFKDM4EMAPTGAA
SCHEMBL1040298 0.74 TRPV1 (0.63)
SCHEMBL3874602 0.73 RHEB (0.55) BRAFSCN9AKDM4EMAPT
SCHEMBL15485307 0.72 IDO1 (0.44) BRAFMAP4K4MAPT
SCHEMBL15490439 0.72 SMN1; SMN2 (0.41) BRAFMAP4K4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 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-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 BRAF 735/4885SCN9A 838/4885NR3C1 287/4885

“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.