SCHEMBL5339905

SCHEMBL5339905

CNc1ccc(Oc2ccnc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.43
SCN5A Q14524 3/20 0.42
KCNH2 Q12809 3/20 0.42
P2RX3 P56373 7/20 0.40
RAF1 P04049 3/20 0.40
KDR P35968 3/20 0.40
EPHX2 P34913 2/20 0.40
MEN1 O00255 1/20 0.40
PLK4 O00444 1/20 0.40
CIT O14578 1/20 0.40
AURKA O14965 1/20 0.40
MUSK O15146 1/20 0.40
EPHB6 O15197 1/20 0.40
MAPK13 O15264 1/20 0.40
MLNR O43193 1/20 0.40
MAP3K7 O43318 1/20 0.40
RIPK2 O43353 1/20 0.40
DYRK3 O43781 1/20 0.40
PDE6D O43924 1/20 0.40
NR1I2 O75469 1/20 0.40

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
SCHEMBL191885 0.81 CCR1 (0.47) MEN1FGFR2CA7KMT2AMERTK
SCHEMBL8237311 0.81 TEAD4 (0.44) SCN9ASCN5AKCNH2MEN1KMT2A
SCHEMBL1415431 0.80 SCN9A (0.50) SCN9ASCN5AKCNH2P2RX3MEN1
SCHEMBL13342798 0.80 MTNR1A (0.56) RAF1KDREPHX2MEN1PLK4
SCHEMBL1415877 0.78 FGFR2 (0.42) P2RX3RAF1BRAFFGFR2
SCHEMBL20067699 0.77 MAPT (0.44) SCN9ASCN5AKCNH2P2RX3RAF1
SCHEMBL1415532 0.77 S1PR2 (0.46) SCN9ASCN5AKCNH2RAF1MEN1
SCHEMBL573928 0.77 MAOA (0.53) SCN9ASCN5AKCNH2MEN1MAOA
SCHEMBL3179749 0.77 KDR (0.55) RAF1KDREPHX2MEN1PLK4
SCHEMBL190319 0.77 LTA4H (0.48) MEN1KMT2AGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 SCN9A 4289/4885SCN5A 3259/4885KCNH2 4139/4885

“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.