SCHEMBL3585647

SCHEMBL3585647

CN(CCNC(=O)Cn1ncc2c(=O)n(C)ccc21)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
THRB P10828 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 5/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIK3CA P42336 1/20 0.38
HPGD P15428 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
SCHEMBL3585648 0.83 ALDH1A1 (0.48) ATMTHRBKMT2AMEN1LMNA
SCHEMBL3607948 0.82 KMT2A (0.39) ATMTHRBKMT2AMEN1LMNA
SCHEMBL3602593 0.79 TSHR (0.57) ATMTHRBKMT2AMEN1TP53
SCHEMBL3198668 0.79 ATM (0.49) ATMTHRBKMT2AMEN1LMNA
SCHEMBL3191108 0.79 HBB (0.49) ATMTHRBKMT2ALMNATP53
SCHEMBL3195515 0.77 ATM (0.44) ATMTP53MAPTALDH1A1RAB9A
SCHEMBL3185752 0.77 ATM (0.44) ATMTP53MAPTALDH1A1RAB9A
SCHEMBL3191690 0.77 ATM (0.44) ATMTP53MAPTALDH1A1RAB9A
SCHEMBL3185788 0.76 ATM (0.41) ATMTHRBKMT2AMEN1TP53
SCHEMBL3603709 0.76 KMO (0.43) ATMKMT2AMEN1TP53MAPT

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 8 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-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
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
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 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
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 ATM 3561/4885THRB 1690/4885KMT2A 3838/4885

“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.