SCHEMBL5460975

SCHEMBL5460975

Cc1ccc(Nc2nn3cc([C@H]4CC[C@H](N)CC4)nc3c(N)c2C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.34
DHODH Q02127 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
JAK2 O60674 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 5/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
RAF1 P04049 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
CYBB P04839 1/20 0.32
NOX5 Q96PH1 1/20 0.32

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
SCHEMBL3007600 0.84 MAPT (0.34) DHODHL3MBTL1JAK2KDM4EGAA
SCHEMBL3017866 0.83 DHODH (0.34) SRCDHODHL3MBTL1JAK2KDM4E
SCHEMBL3027051 0.83 DHODH (0.34) SRCDHODHL3MBTL1JAK2KDM4E
SCHEMBL3023221 0.75 AXL (0.39)
SCHEMBL3021148 0.75 LMNA (0.36) SRCGAAMAPTLMNAEGFR
SCHEMBL3020714 0.75 DHODH (0.37) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3533298 0.73 TAS2R14 (0.38) KDR
SCHEMBL3021675 0.72 MAPT (0.42) SRCL3MBTL1GAAMAPTNPC1
SCHEMBL3015022 0.72 NPC1 (0.42) SRCHPGDMAPTNPC1RAB9A
SCHEMBL3012712 0.72 MAPT (0.42) SRCL3MBTL1GAAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 SRC 114/4885DHODH 2732/4885L3MBTL1 3182/4885

“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.