SCHEMBL345989

SCHEMBL345989

CCOC(=O)c1cc2c(-c3ccc(F)cc3F)nn(Cc3ccc(OC)cc3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
PRKCZ Q05513 1/20 0.39

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
SCHEMBL13187111 0.81 KDM4E (0.54) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL348825 0.80 KDM4E (0.53) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL347970 0.76 KDM4E (0.42) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL348489 0.74 KDM4E (0.44) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL347014 0.70 MAPK14 (0.44) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL10154924 0.68 KDM4E (0.44) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL22435184 0.66 MAPT (0.56) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL30028627 0.66 MAPT (0.68) MAPTKDM4ENPSR1GAA
SCHEMBL8985409 0.65 MAPK14 (0.75) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL24828267 0.65 MAPT (0.67) MAPTKDM4ENPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MAPT 4011/4885KDM4E 4010/4885CYP1A2 3942/4885

“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.