SCHEMBL6497200

SCHEMBL6497200

O=C(NC1CC2CNC1C2)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESRRG P62508 7/20 0.46
PTPN11 Q06124 2/20 0.46
PTPN2 P17706 1/20 0.46
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
PTPN1 P18031 1/20 0.43
CHRNA7 P36544 5/20 0.42
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42

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
SCHEMBL6488299 0.90 ESRRG (0.55) ESRRGPTPN11MAPK11MAPK14ESR1
SCHEMBL6487135 0.89 ESRRG (0.50) MAPTESRRGESR1ESR2CHRNA7
SCHEMBL6498807 0.89 MAPK11 (0.43) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6486663 0.89 ESRRG (0.46) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6489244 0.89 ESRRG (0.46) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6497432 0.88 CHRNA7 (0.54) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6491196 0.86 KDM4E (0.55) KDM4ENPC1ALDH1A1HPGDMAPT
SCHEMBL6489478 0.85 KDM4E (0.44) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL6496086 0.84 ESRRG (0.41) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL6485890 0.84 HPGDS (0.49) ESRRGESR1ESR2CHRNA7HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 KDM4E 2799/4885NPC1 224/4885RAB9A 1437/4885

“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.