SCHEMBL5754077

SCHEMBL5754077

COc1cccc(-c2ncnc(Nc3ccccc3O)c2[N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.45
▸ BRAF P15056 4/20 0.43
▸ RAF1 P04049 3/20 0.43
▸ ABCG2 Q9UNQ0 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL5754394 0.86 DHODH (0.47) RETBRAFABCG2MAPK1NPC1
SCHEMBL8792107 0.69 DYRK1A (0.46) ABCG2KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL1324570 0.69 EGFR (0.51) ABCG2KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL6659419 0.67 YTHDC1 (0.47) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL2404670 0.66 ADORA2A (0.49) BRAFABCG2MEN1KMT2ANPC1
SCHEMBL2404182 0.65 NPC1 (0.51) ABCG2MEN1KMT2ANPC1POLB
SCHEMBL27866903 0.64 DYRK1A (0.56) ABCG2MEN1KMT2AMAPK1NPC1
SCHEMBL10650908 0.64 MEN1 (0.49) ABCG2MEN1KMT2AMAPK1POLB
SCHEMBL2404626 0.64 NPC1 (0.47) ABCG2MEN1KMT2ANPC1POLB
SCHEMBL16760007 0.63 MAPT (0.54) MEN1KMT2APOLBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651619-A1 SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-05-03 — — EP claimed
WO-2005009977-A1 SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-03 — — WO claimed
US-20060229308-A1 Substituted pyrirmidin-4-ylamine analogues as vanilloid receptor ligands NEUROGEN CORPORATION (US) 2006-10-12 — — US disclosed
EP-1651619-A1 SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-05-03 — — EP disclosed
WO-2005009977-A1 SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-03 — — 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-20060229308-A1 Substituted pyrirmidin-4-ylamine analogues as vanilloid receptor ligands TRPV1, GPR17, TRPV2 RET 377/4885BRAF 2363/4885RAF1 2791/4885

“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.

Send feedback