SCHEMBL6441603

SCHEMBL6441603

CC(CCN)c1nc2cccnc2c2c1ncn2CCCCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 3/20 0.36
HTR2A P28223 3/20 0.35
HTR2B P41595 3/20 0.35
HTR2C P28335 2/20 0.35
CYP1A2 P05177 2/20 0.35
PDE4D Q08499 2/20 0.35
KCNH2 Q12809 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CASP1 P29466 2/20 0.35
ABCB11 O95342 1/20 0.35
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL8150493 0.84 TLR8 (0.37) TLR7TLR8
SCHEMBL6642504 0.83 HDAC4 (0.35) HSP90AA1HSP90AB1KDM4ECASP1ALDH1A1
SCHEMBL20865570 0.82 DPP7 (0.32) HSP90AA1HSP90AB1KDM4ECASP1TLR8
SCHEMBL3358559 0.80 TLR7 (0.43) HSP90AA1HSP90AB1HTR2AHTR2BPDE4D
SCHEMBL18546822 0.80 EPHX1 (0.38) ALDH1A1HIF1A
SCHEMBL6640299 0.80 SHMT2 (0.37) LMNAKDM4ESHMT2ALDH1A1TP53
SCHEMBL7095098 0.79 LARS1 (0.32) HTR2AHTR2BHTR2CCYP1A2LMNA
SCHEMBL6801104 0.77 TLR8 (0.41) PDE4DPDE4AALDH1A1TLR7ADORA2A
SCHEMBL22006150 0.77 PSMB5 (0.38) LMNACASP1SHMT2ALDH1A1
SCHEMBL5669098 0.76 TLR7 (0.44) HTR2AHTR2BPDE4DKCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512686-A1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2005-03-09 EP disclosed
US-20030212093-A1 Viricides, antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 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 (1 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-20030212093-A1 Viricides, antitumor agents IFNG, IFNAR1, MAVS HSP90AA1 1529/4885HSP90AB1 1937/4885HTR2A 4032/4885

“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.