SCHEMBL5340668

SCHEMBL5340668

CNc1ccc(Oc2ccnc(-c3nnco3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.43
KDR P35968 6/20 0.38
NOTUM Q6P988 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
RAF1 P04049 3/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FLT1 P17948 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5428703 0.88 NOTUM (0.42) TLR8KDRNOTUMKDM4ERXFP1
SCHEMBL3405254 0.83 TLR8 (0.46) TLR8NOTUMNPC1RAB9AHPGD
SCHEMBL24921146 0.78 CCR1 (0.59) TLR8NOTUMNPC1RAB9AHPGD
SCHEMBL14447154 0.75 MAOB (0.44) TLR8NOTUMALDH1A1KDM4ERXFP1
SCHEMBL5349249 0.75 RAF1 (0.45) KDRHPGDRAF1EPHX2ALDH1A1
SCHEMBL5443878 0.74 NR1H4 (0.55) KDRNPC1RAB9AMAPK1FLT1
SCHEMBL3406605 0.73 RAF1 (0.65) KDRRAF1EPHX2MAPK1FLT1
SCHEMBL5442038 0.72 KDR (0.52) KDRNPC1RAB9AALDH1A1MAPK1
SCHEMBL5339905 0.70 SCN9A (0.43) KDRRAF1EPHX2MAPK1FLT1
SCHEMBL20748700 0.70 KDR (0.61) KDRFLT1

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
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

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 TLR8 3811/4885KDR 555/4885NOTUM 4000/4885

“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.