SCHEMBL3558446

SCHEMBL3558446

Cc1cc(NC(=O)NCCN2CC[CH]CC2C(=O)NC2CC2)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
ACKR3 P25106 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
QPCT Q16769 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR2 O95136 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CXCR3 P49682 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
SCHEMBL3563189 0.86 KDM4E (0.41) KDM4EALDH1A1QPCTSMN1; SMN2
SCHEMBL3565105 0.82 KDM4E (0.37) KDM4EHSD17B10HPGDALDH1A1QPCT
SCHEMBL3556286 0.73 KDM4E (0.45) KDM4EALDH1A1NPSR1
SCHEMBL3554952 0.72 KDM4E (0.43) KDM4EALDH1A1NPSR1
SCHEMBL301836 0.71 KDM4E (0.45) KDM4EALDH1A1NPSR1
SCHEMBL301835 0.70 POLB (0.47) KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL3563192 0.70 KDM4E (0.46) KDM4EALDH1A1NPSR1
SCHEMBL4857062 0.69 UTS2R (0.55) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3559283 0.67 RAB9A (0.44) KDM4E
SCHEMBL3557010 0.66 CARM1 (0.52) KDM4EALDH1A1NPSR1

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
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed
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 1861/4885TSHR 1285/4885HSD17B10 3481/4885

“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.