SCHEMBL16229844

SCHEMBL16229844

CCOC(=O)c1cnc2c(Br)cc(C#N)cc2c1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 7/20 0.44
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PDE5A O76074 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NMT1 P30419 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ DPP4 P27487 2/20 0.39
▸ NMT2 O60551 1/20 0.39

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) NPC1RAB9AKMT2AKDM4EHTT
SCHEMBL866612 0.86 KMT2A (0.50) KMT2AKDM4EHTTPOLBRECQL
SCHEMBL438293 0.84 NPC1 (0.55) NPC1RAB9AKMT2AKDM4EHSP90AA1
SCHEMBL437001 0.77 NPC1 (0.55) NPC1RAB9AKMT2AKDM4EHSP90AA1
SCHEMBL437697 0.77 KMT2A (0.68) NPC1RAB9AKMT2AKDM4EHSD17B10
SCHEMBL436629 0.75 KMT2A (0.65) NPC1RAB9AKMT2AKDM4EHSD17B10
SCHEMBL439457 0.74 NPC1 (0.57) NPC1RAB9AKMT2AKDM4EHSP90AA1
SCHEMBL21591834 0.73 KMT2A (0.50) KMT2AKDM4EHTTPOLBRECQL
SCHEMBL436657 0.72 KDM4E (0.59) NPC1RAB9AKMT2AKDM4EHTT
SCHEMBL438415 0.72 KMT2A (0.55) NPC1RAB9AKMT2AKDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A NPC1 2129/4885RAB9A 3255/4885KMT2A 3277/4885
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A NPC1 2129/4885RAB9A 3255/4885KMT2A 3277/4885

“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.

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