SCHEMBL3563192

SCHEMBL3563192

Cc1cc(NC(=O)NCCN2CCC(N)CC2)cc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
CNR1 P21554 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 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
SCHEMBL301835 0.88 POLB (0.47) KDM4ECNR1MEN1KMT2APOLB
SCHEMBL301836 0.87 KDM4E (0.45) KDM4ECNR1MEN1KMT2APOLB
SCHEMBL3556286 0.87 KDM4E (0.45) KDM4ECNR1MEN1KMT2APOLB
SCHEMBL3559283 0.86 RAB9A (0.44) KDM4ECNR1MEN1KMT2APOLB
SCHEMBL3554952 0.85 KDM4E (0.43) KDM4ECNR1MEN1KMT2APOLB
SCHEMBL3557010 0.83 CARM1 (0.52) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL3557299 0.81 CCR3 (0.67) MEN1KMT2APOLBRAB9A
SCHEMBL3563441 0.80 RAB9A (0.42) KDM4ECNR1MEN1KMT2APOLB
SCHEMBL4857066 0.80 UTS2R (0.68) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL27661919 0.79 CARM1 (0.56) MEN1KMT2APOLBMAPTTP53

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 1861/4885CNR1 16/4885MEN1 1845/4885

“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.