SCHEMBL3770280

SCHEMBL3770280

O=C(Nc1ccc2nccnc2c1)c1ccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
KLK7 P49862 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
LRRK2 Q5S007 6/20 0.40
S1PR1 P21453 1/20 0.39
CTNNB1 P35222 2/20 0.38
TCF7L2 Q9NQB0 2/20 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
SCHEMBL13006076 0.95 FLT3 (0.41) FLT3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3775223 0.88 LRRK2 (0.44) TRPV1LRRK2S1PR1CTNNB1TCF7L2
SCHEMBL3772990 0.88 LRRK2 (0.43) LRRK2S1PR1CTNNB1TCF7L2
SCHEMBL3761990 0.88 LRRK2 (0.43) LRRK2S1PR1CTNNB1TCF7L2
SCHEMBL3766325 0.86 PARP1 (0.45) HPGDNPC1ALDH1A1RAB9ATRPV1
SCHEMBL3799432 0.83 HTR2B (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2LRRK2
SCHEMBL13060943 0.83 ULK1 (0.44) FLT3TRPV1LRRK2S1PR1CTNNB1
SCHEMBL13006065 0.83 LRRK2 (0.47) HPGDALDH1A1SMN1; SMN2LRRK2
SCHEMBL3772259 0.83 SMN1; SMN2 (0.44) HPGDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL381702 0.83 LRRK2 (0.48) LRRK2

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 6 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
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 FLT3 430/4885HPGD 3618/4885KDM4E 3996/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 FLT3 418/4885HPGD 3653/4885KDM4E 4033/4885

“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.