SCHEMBL3563189

SCHEMBL3563189

Cc1cc(NC(=O)NCCN2CC[CH]CC2C(N)=O)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.35
QPCT Q16769 3/20 0.35
CNR1 P21554 1/20 0.34
RAB9A P51151 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3558446 0.86 KDM4E (0.39) KDM4EALDH1A1QPCTSMN1; SMN2
SCHEMBL3565105 0.83 KDM4E (0.37) KDM4EALDH1A1QPCTCNR1RAB9A
SCHEMBL4857062 0.82 UTS2R (0.55) KDM4EALDH1A1RAB9ACYP2C19MEN1
SCHEMBL301835 0.78 POLB (0.47) KDM4EALDH1A1CNR1POLBMAPT
SCHEMBL3563192 0.73 KDM4E (0.46) KDM4EALDH1A1CNR1RAB9APOLB
SCHEMBL3559283 0.72 RAB9A (0.44) KDM4ECNR1RAB9APOLBMAPT
SCHEMBL3554952 0.70 KDM4E (0.43) KDM4EALDH1A1CNR1POLBMAPT
SCHEMBL301836 0.70 KDM4E (0.45) KDM4EALDH1A1CNR1RAB9APOLB
SCHEMBL3556286 0.70 KDM4E (0.45) KDM4EALDH1A1CNR1RAB9APOLB
SCHEMBL3963948 0.69 SMN1; SMN2 (0.36) DRD2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 KDM4E 1861/4885ALDH1A1 2078/4885QPCT 998/4885

“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.