SCHEMBL14005000

SCHEMBL14005000

FC(F)(F)c1ccnc(N/N=C/c2ccc(CNc3ncccn3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
PKM P14618 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SYK P43405 1/20 0.39
HTT P42858 2/20 0.39
DDX3X O00571 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL14070489 0.81 HDAC1 (0.41) PKMHDAC1HDAC8HDAC6SYK
SCHEMBL13879819 0.79 PKM (0.52) PKMTP53HDAC1HDAC8HDAC6
SCHEMBL13879795 0.73 KDM4E (0.50) PKMTP53SMN1; SMN2HDAC1HDAC8
SCHEMBL28170572 0.72 RAB9A (0.52) NPC1PKMRAB9ATP53SMN1; SMN2
SCHEMBL28170571 0.72 RAB9A (0.52) NPC1PKMRAB9ATP53SMN1; SMN2
SCHEMBL14005223 0.71 CXCR4 (0.54) MAPTDDX3XKDM4EADORA2A
SCHEMBL13891925 0.69 SYK (0.47) PKMTP53SMN1; SMN2HDAC1HDAC6
SCHEMBL23657711 0.68 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL13891924 0.68 KDM4E (0.41) PKMTP53HDAC1HDAC8HDAC6
Msx-122 SCHEMBL10054965 0.67 CXCR4 (0.61) NPC1RAB9AHDAC1HDAC8HDAC6

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
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 NPC1 363/4885PKM 1645/4885RAB9A 1363/4885

“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.