SCHEMBL14005266

SCHEMBL14005266

Cc1nc(NNCc2ccccc2)ncc1C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
THRB P10828 1/20 0.53
CNR2 P34972 5/20 0.51
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.47
ESR1 P03372 1/20 0.47
MAPT P10636 1/20 0.47
MAPK10 P53779 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL14005267 0.85 MAPT (0.54) RAB9ANPSR1THRBCNR2RXFP1
SCHEMBL14029902 0.83 CNR2 (0.52) THRBCNR2RXFP1HPGDKMT2A
SCHEMBL4745657 0.82 CNR2 (0.76) CNR2CYP3A4CYP2C9CYP2C19
SCHEMBL14005262 0.79 HPGDS (0.67) HPGD
SCHEMBL32671624 0.76 RAB9A (0.74) RAB9ANPSR1HPGDKDM4EALDH1A1
SCHEMBL2736609 0.74 ADORA2A (0.60) HPGDKMT2AESR1MAPTMAPK10
Potassium Ion SCHEMBL32671620 0.73 RAB9A (0.69) RAB9ANPSR1HPGDKDM4EALDH1A1
SCHEMBL31569526 0.72 NSD2 (0.66) NPSR1HPGDKMT2AMAPTKDM4E
SCHEMBL12142857 0.72 NSD2 (0.66) NPSR1HPGDKMT2AMAPTKDM4E
SCHEMBL1013869 0.71 RAB9A (0.60) RAB9ANPSR1CNR2HPGDKMT2A

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 RAB9A 1363/4885NPSR1 151/4885THRB 1846/4885

“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.