SCHEMBL867319

SCHEMBL867319

CCOC(=O)c1cnc2c(N(C)C)cc(C#N)cc2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PDE5A O76074 4/20 0.47
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
PDE6D O43924 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6C P51160 1/20 0.42
PDE6H Q13956 1/20 0.42
GPR35 Q9HC97 1/20 0.40
NMT1 P30419 2/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 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
SCHEMBL867544 0.88 PDE5A (0.43) KMT2AMEN1PDE5AMAPTPOLB
SCHEMBL866612 0.84 KMT2A (0.50) KMT2AMEN1PDE5AMAPTPOLB
SCHEMBL21591834 0.84 KMT2A (0.50) KMT2AMEN1PDE5AMAPTPOLB
SCHEMBL10193543 0.80 KMT2A (0.48) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL11244854 0.78 KMT2A (0.65) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL867299 0.77 PDE5A (0.81) PDE5AMAPTPOLBPDE6DPDE6A
SCHEMBL839166 0.77 PDE5A (0.60) KMT2AMEN1PDE5AMAPTNMT1
SCHEMBL7889438 0.77 PDE5A (0.62) KMT2APDE5AMAPTPOLBPDE6D
SCHEMBL19021556 0.74 KMT2A (0.47) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL10250024 0.73 PDE5A (0.43) KMT2AMEN1PDE5APDE6DPDE6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974782-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-22 US disclosed
US-9974782-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-22 US disclosed
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-9422242-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-23 US disclosed
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF COLUMBIA UNIVERSITY (US) 2015-03-19 US disclosed
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF COLUMBIA UNIVERSITY (US) 2015-03-19 US disclosed
EP-2379076-B1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2014-11-12 EP disclosed
EP-2379076-B1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2014-11-12 EP disclosed
US-8697875-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-04-15 US disclosed
US-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-29 US disclosed
WO-2010074783-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-07-01 WO 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 (3 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-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KMT2A 3277/4885MEN1 1930/4885PDE5A 2/4885
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KMT2A 3277/4885MEN1 1930/4885PDE5A 2/4885
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KMT2A 3277/4885MEN1 1930/4885PDE5A 2/4885

“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.