SCHEMBL3558382

SCHEMBL3558382

Cc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccccc3C)CC2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.43
UTS2R Q9UKP6 4/20 0.42
POLB P06746 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
DRD2 P14416 2/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.39
CCR3 P51677 1/20 0.39
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
CA1 P00915 2/20 0.38

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
SCHEMBL3561832 0.91 KMT2A (0.42) MEN1KMT2ARAB9AUTS2RPOLB
SCHEMBL3560493 0.91 MAPT (0.43) MEN1KMT2AUTS2RPOLBHTR2A
SCHEMBL3565446 0.91 HTR2A (0.53) MEN1KMT2ARAB9AUTS2RPOLB
SCHEMBL3556658 0.90 KMT2A (0.44) MEN1KMT2ARAB9AUTS2RPOLB
SCHEMBL3555611 0.90 POLB (0.47) MEN1KMT2AUTS2RPOLBHTR2A
SCHEMBL3565154 0.89 UTS2R (0.46) MEN1KMT2ARAB9AUTS2RPOLB
SCHEMBL3562248 0.85 CA2 (0.48) MEN1KMT2AUTS2RHTR2AHTR2C
SCHEMBL3558956 0.85 LMNA (0.41) UTS2RHTR2ACCR3CA1CA2
SCHEMBL3556333 0.85 HTR2A (0.43) MEN1KMT2AUTS2RPOLBHTR2A
SCHEMBL3563156 0.85 CCR3 (0.42) MEN1KMT2ARAB9AUTS2RHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP 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 MEN1 1845/4885KMT2A 3265/4885RAB9A 2354/4885

“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.