SCHEMBL3774568

SCHEMBL3774568

Cc1n[nH]c2ccnc(NCCCN3CCCC3=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 7/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
LMNA P02545 3/20 0.48
ADORA1 P30542 1/20 0.48
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
BTK Q06187 1/20 0.47
CYP3A4 P08684 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
PGK1 P00558 1/20 0.45

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
SCHEMBL3780547 0.75 UTS2R (0.43) KMT2AKDM4ECYP1A2CYP3A4POLB
SCHEMBL3775684 0.74 TLR8 (0.45) CYP3A4POLB
SCHEMBL3805720 0.74 MAPK1 (0.52) ALDH1A1MEN1KDM4EHPGDHSD17B10
SCHEMBL3781871 0.74 PIP4K2A (0.48) MEN1KMT2AKDM4EHPGDLMNA
SCHEMBL3775019 0.73 UTS2R (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL3770229 0.72 KDM1A (0.41) GFERNPC1RAB9A
SCHEMBL3768424 0.71 UTS2R (0.44) CYP3A4MAPK1
SCHEMBL13039380 0.70 MKNK1 (0.52) ALDH1A1MEN1KMT2ARXFP1KDM4E
SCHEMBL3768544 0.70 UTS2R (0.57) MEN1KMT2ACYP1A2CYP3A4POLB
SCHEMBL3776613 0.70 UTS2R (0.57) ALDH1A1KDM4EHSD17B10LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 ALDH1A1 2980/4885MEN1 904/4885KMT2A 3856/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 ALDH1A1 2975/4885MEN1 912/4885KMT2A 3840/4885

“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.