SCHEMBL3450048

SCHEMBL3450048

CCOC(=O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nnc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
FGFR1 P11362 2/20 0.40
PAK1 Q13153 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
EGFR P00533 3/20 0.38
P2RY12 Q9H244 2/20 0.38
ERBB2 P04626 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL3447900 0.90 PAK1 (0.40) RXFP1FGFR1PAK1EGFRP2RY12
SCHEMBL3450340 0.89 CSNK2A1 (0.42) NPC1RAB9AMKNK2MAPTCSNK2A1
SCHEMBL3448922 0.88 FGFR1 (0.41) RXFP1FGFR1PAK1LMNAEGFR
SCHEMBL3448986 0.85 KCNN3 (0.42) RXFP1FGFR1PAK1LMNANPC1
SCHEMBL3435889 0.85 FGFR1 (0.44) RXFP1FGFR1PAK1NPC1RAB9A
SCHEMBL3450513 0.85 RXFP1 (0.41) RXFP1FGFR1PAK1LMNANPC1
SCHEMBL3448523 0.83 P2RY12 (0.43) RXFP1FGFR1PAK1RAB9AEGFR
SCHEMBL3449434 0.83 MKNK2 (0.43) RXFP1EGFRMKNK2MAPK1CSNK2A1
SCHEMBL13311002 0.83 HDAC1 (0.37) FGFR1EGFRERBB2MKNK2KDM4E
SCHEMBL3448621 0.83 P2RY12 (0.48) FGFR1PAK1EGFRP2RY12ERBB2

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD RXFP1 4236/4885FGFR1 3917/4885PAK1 2792/4885

“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.