SCHEMBL12424943

SCHEMBL12424943

CCC1CCN(C(=O)CC#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK3 P52333 7/20 0.42
JAK2 O60674 7/20 0.42
JAK1 P23458 6/20 0.39
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
NPC1 O15118 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
EPHX2 P34913 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL12425835 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL24456492 0.90 JAK2 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12424401 0.90 JAK2 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL30497410 0.90 JAK2 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL20795819 0.83 GNAI3 (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12424315 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6421780 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL13747823 0.81 IRAK4 (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12424603 0.80 JAK3 (0.46) ALDH1A1MEN1MAPTKMT2AJAK3
SCHEMBL13741354 0.79 GPR119 (0.43) ALDH1A1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer ASANA BIOSCIENCES, LLC (US) 2019-01-29 US disclosed
US-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2019-01-22 US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (8 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-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS ALDH1A1 367/4885KDM4E 1625/4885MEN1 2624/4885
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALDH1A1 3705/4885KDM4E 201/4885MEN1 1281/4885
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer MKI67, DPYD, TYMP ALDH1A1 146/4885KDM4E 2967/4885MEN1 1514/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP ALDH1A1 146/4885KDM4E 2967/4885MEN1 1514/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885KDM4E 2333/4885MEN1 298/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALDH1A1 3705/4885KDM4E 201/4885MEN1 1281/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 ALDH1A1 3705/4885KDM4E 201/4885MEN1 1281/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALDH1A1 3705/4885KDM4E 201/4885MEN1 1281/4885

“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.