SCHEMBL3597269

SCHEMBL3597269

O=C(Cn1cnc2cccnc21)NCCNCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
PABPC1 P11940 1/20 0.41
P2RX7 Q99572 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CXCR3 P49682 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
SCHEMBL3605623 0.83 TRPA1 (0.43) HPGDRECQLPOLBMEN1KMT2A
SCHEMBL3597267 0.81 BCHE (0.41) HPGDPOLBMEN1KMT2ATP53
SCHEMBL3597093 0.77 BACE1 (0.47) HPGDRECQLPOLBMEN1KMT2A
SCHEMBL5345354 0.77 TRPA1 (0.44) HPGDPOLBMEN1KMT2ATP53
SCHEMBL3602189 0.77 HPGD (0.43) HPGDPOLBMEN1KMT2ATP53
SCHEMBL3605823 0.77 HTT (0.42) ENPP2HPGDRECQLPOLBMEN1
SCHEMBL3591234 0.76 P2RX7 (0.45) ENPP2HPGDRECQLMEN1KMT2A
SCHEMBL5367271 0.75 MTNR1A (0.53) HPGDPOLBKMT2ATP53TSHR
SCHEMBL3606208 0.75 TP53 (0.44) HPGDPOLBMEN1KMT2ATP53
SCHEMBL3599702 0.74 GRIN2B (0.41) HPGDPOLBMEN1KMT2ATP53

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-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 ENPP2 487/4885HPGD 3386/4885RECQL 3640/4885

“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.