SCHEMBL3873190

SCHEMBL3873190

Clc1cc(Oc2cccc3cnccc23)ncn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.45
BRAF P15056 1/20 0.45
SCN9A Q15858 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
HPGD P15428 1/20 0.39
NR3C1 P04150 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
TRPV1 Q8NER1 2/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
NR2F2 P24468 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3876878 0.83 EGFR (0.38) KCNA3BRAFLMNACYP1A2CYP3A4
SCHEMBL1122961 0.79 BRAF (0.53) KCNA3BRAFSCN9ALMNACYP1A2
SCHEMBL3874678 0.76 KDM4E (0.63) LMNAKDM4EHPGDRAB9AHTT
SCHEMBL1041775 0.75 TRPV1 (0.55) TRPV1
SCHEMBL3877530 0.75 BRAF (0.42) BRAFSCN9AKDM4ENR3C1
SCHEMBL3873885 0.73 KMO (0.42) SCN9ACYP3A4
SCHEMBL3875416 0.72 IKBKB (0.41) SCN9ARAB9A
SCHEMBL3885539 0.71 AHR (0.42) BRAFLMNAKDM4ERAB9AHTT
SCHEMBL3874602 0.71 RHEB (0.55) BRAFSCN9ALMNACYP1A2CYP3A4
SCHEMBL3875440 0.70 KDR (0.42) BRAFCYP1A2CYP2C9CYP2C19KDM4E

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 KCNA3 242/4885BRAF 735/4885SCN9A 838/4885

“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.