SCHEMBL1043395

SCHEMBL1043395

O=c1cnc2cccc(O)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
AURKA O14965 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GUSB P08236 2/20 0.38
HPGD P15428 2/20 0.38
PARP1 P09874 3/20 0.37
EGFR P00533 1/20 0.37
PRKCA P17252 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL2800776 0.78 CA12 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3KDM4E
SCHEMBL30297088 0.78 CA12 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3KDM4E
SCHEMBL2365284 0.78 CA12 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3KDM4E
SCHEMBL5318244 0.78 KDM4E (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3KDM4E
SCHEMBL30297078 0.78 CA12 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3KDM4E
SCHEMBL1041178 0.74 NQO2 (0.50) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL22654726 0.74 UPP1 (0.40) MAPKAPK2RPS6KA3CSNK2A1PLK3KDM4E
SCHEMBL15935194 0.74 KIF11 (0.40) MAPKAPK2RPS6KA3CSNK2A1PLK3KDM4E
SCHEMBL4518440 0.73 ALDH1A1 (0.48) KDM4EALDH1A1GUSBHPGDPARP1
SCHEMBL1041260 0.70 KDM4E (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111770921-B Quinoxalinone compounds, compositions, methods and kits for improving genome editing efficiency 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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 (3 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-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MAPKAPK2 1239/4885RPS6KA3 2906/4885CSNK2A1 4185/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MAPKAPK2 1239/4885RPS6KA3 2906/4885CSNK2A1 4185/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MAPKAPK2 1079/4885RPS6KA3 3034/4885CSNK2A1 3754/4885

“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.