SCHEMBL866612

SCHEMBL866612

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PDE5A O76074 3/20 0.48
GPR35 Q9HC97 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NMT1 P30419 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
NMT2 O60551 1/20 0.39
TP53 P04637 2/20 0.38
MAPK10 P53779 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
SCHEMBL867159 0.87 PDE5A (0.44) KMT2AMEN1PDE5AKDM4EMAPT
SCHEMBL16229844 0.86 NPC1 (0.50) KMT2APDE5AKDM4EMAPTALDH1A1
SCHEMBL21591834 0.86 KMT2A (0.50) KMT2AMEN1PDE5AGPR35KDM4E
SCHEMBL19782938 0.84 KMT2A (0.55) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL867319 0.84 KMT2A (0.48) KMT2AMEN1PDE5AGPR35KDM4E
SCHEMBL13652346 0.83 KMT2A (0.54) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL867634 0.82 MEN1 (0.37) KMT2AMEN1PDE5AGPR35KDM4E
SCHEMBL16577331 0.80 KMT2A (0.50) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL10193530 0.80 KMT2A (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL839166 0.79 PDE5A (0.60) KMT2AMEN1PDE5AKDM4EMAPT

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 15 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
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
EP-2379076-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2011-10-26 EP 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
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.