SCHEMBL3556422

SCHEMBL3556422

CCNC1CCN(CCNC(=O)Nc2cc(C)nc(CC)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
POLB P06746 3/20 0.39
CNR1 P21554 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.38
UTS2R Q9UKP6 1/20 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
SCHEMBL3554952 0.93 KDM4E (0.43) KDM4EPOLBCNR1MEN1KMT2A
SCHEMBL3563441 0.88 RAB9A (0.42) KDM4EPOLBCNR1MEN1KMT2A
SCHEMBL3556275 0.83 MAPK1 (0.47) POLBMEN1KMT2AMAPTTP53
SCHEMBL3557323 0.82 CCR3 (0.60) POLBMEN1KMT2A
SCHEMBL3556286 0.82 KDM4E (0.45) KDM4EPOLBCNR1MEN1KMT2A
SCHEMBL301836 0.82 KDM4E (0.45) KDM4EPOLBCNR1MEN1KMT2A
SCHEMBL301932 0.79 CNR1 (0.37) CNR1KMT2AMAPTTP53UTS2R
SCHEMBL3563192 0.78 KDM4E (0.46) KDM4EPOLBCNR1MEN1KMT2A
SCHEMBL3560035 0.78 NAMPT (0.44) KDM4EMEN1KMT2AALDH1A1
SCHEMBL3561205 0.78 NAMPT (0.44) POLBMEN1KMT2AMAPTALDH1A1

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 5 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
CN-1856305-B Pyridine derivatives as urotensin II antagonists ACTELION PHARMACEUTICALS LTD 2010-04-28 CN 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
CN-1856305-A Pyridine derivatives and their use as urotensin II antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-11-01 CN 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 1861/4885POLB 4709/4885CNR1 16/4885

“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.