SCHEMBL3768951

SCHEMBL3768951

Cc1n[nH]c2ccnc(Nc3ccc(C(=O)N(C)c4ccccc4)cc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PIP4K2A P48426 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
FLT3 P36888 1/20 0.38
LRRK2 Q5S007 2/20 0.38
NR1H3 Q13133 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 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
SCHEMBL3774972 0.88 FYN (0.46) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL3774794 0.81 GRM4 (0.50) HTTKMT2AMEN1HPGDLRRK2
SCHEMBL3766435 0.81 ROCK1 (0.44) NPC1RAB9AFLT3LRRK2
SCHEMBL3764198 0.80 HPGD (0.48) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL3780712 0.77 MAPK8 (0.47) KMT2AKDM4EALDH1A1MEN1LRRK2
SCHEMBL3775329 0.76 LRRK2 (0.61) HTTNPC1RAB9ALRRK2EGFR
SCHEMBL3768966 0.76 LRRK2 (0.45) LRRK2
SCHEMBL3774496 0.75 GRM5 (0.47) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL381918 0.75 GRM4 (0.43) FLT3LRRK2EGFR
SCHEMBL3775244 0.75 AURKA (0.51) HTTKMT2AKDM4ENPC1RAB9A

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 HTT 738/4885KMT2A 3856/4885KDM4E 3996/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 HTT 768/4885KMT2A 3840/4885KDM4E 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.