SCHEMBL4070755

SCHEMBL4070755

c1nc2n(n1)CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
BLM P54132 1/20 0.45
PDPK1 O15530 1/20 0.41
POLB P06746 2/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
HPGD P15428 4/20 0.34
HTT P42858 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL22617573 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTBLM
SCHEMBL4072814 0.98
SCHEMBL4073344 0.91
SCHEMBL18501319 0.79 JAK3 (0.31) ALDH1A1MEN1KMT2AMAPTBLM
SCHEMBL16253555 0.79 PDPK1 (0.31) ALDH1A1MEN1KMT2AMAPTBLM
SCHEMBL16253526 0.78
SCHEMBL16253525 0.78
SCHEMBL16253566 0.69
SCHEMBL4066286 0.69
SCHEMBL16253538 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999203-B2 Animal training using cognitive enhancement Pohela LLC (US) 2018-06-19 US disclosed
US-9951076-B2 Deuterated pentylenetetrazoles for improving cognitive function BALANCE THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20170181408-A1 ANIMAL TRAINING USING COGNITIVE ENHANCEMENT Pohela LLC 2017-06-29 US disclosed
US-9616068-B2 Animal training using cognitive enhancement Pohela LLC (US) 2017-04-11 US disclosed
US-20160113938-A1 ANIMAL TRAINING USING COGNITIVE ENHANCEMENT Pohela LLC 2016-04-28 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 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 (4 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-20170181408-A1 ANIMAL TRAINING USING COGNITIVE ENHANCEMENT CHAT, ACHE, BCHE ALDH1A1 1296/4885MEN1 2948/4885KMT2A 462/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 ALDH1A1 3158/4885MEN1 387/4885KMT2A 3881/4885
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 ALDH1A1 297/4885MEN1 2211/4885KMT2A 4395/4885
US-20160113938-A1 ANIMAL TRAINING USING COGNITIVE ENHANCEMENT CHAT, ACHE, BCHE ALDH1A1 1296/4885MEN1 2948/4885KMT2A 462/4885

“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.