SCHEMBL3775244

SCHEMBL3775244

COc1ccccc1NC(=O)c1ccc(Nc2nccc3[nH]nc(C)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AHR P35869 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
NAMPT P43490 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46
EIF4H Q15056 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
MLYCD O95822 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
FYN P06241 1/20 0.44

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
SCHEMBL3764074 0.82 MEN1 (0.46) AURKAMAPTMEN1KMT2AKDM4E
SCHEMBL3769478 0.78 BRAF (0.46) AURKAKMT2AKDM4ENAMPTSMN1; SMN2
SCHEMBL3766435 0.77 ROCK1 (0.44) AURKAMAPTAHRGAASMN1; SMN2
SCHEMBL3780712 0.76 MAPK8 (0.47) AURKAMAPTMEN1KMT2AKDM4E
SCHEMBL3774972 0.75 FYN (0.46) AURKAMAPTMEN1KMT2AKDM4E
SCHEMBL3768951 0.75 HTT (0.45) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL3774794 0.75 GRM4 (0.50) MAPTMEN1KMT2AHTT
SCHEMBL382286 0.74 RAB9A (0.46) AURKASMN1; SMN2RAB9ANPC1
SCHEMBL3763899 0.73 GRM4 (0.51) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL3775329 0.72 LRRK2 (0.61) MAPTAHRSMN1; SMN2HTTRAB9A

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 AURKA 2750/4885MAPT 4568/4885MEN1 904/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 AURKA 2786/4885MAPT 4576/4885MEN1 912/4885

“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.