SCHEMBL732877

SCHEMBL732877

COc1c[c]cc(-c2ccc(-c3nnn[nH]3)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.34
MEN1 O00255 2/20 0.31
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL733059 0.81 NPC1 (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL733296 0.76 NPC1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL732707 0.75 MEN1 (0.53) MEN1TSHRKMT2AATMKDM4E
SCHEMBL15886669 0.73 BTK (0.56) BTK
SCHEMBL733019 0.73 MEN1 (0.39) MEN1TSHRKMT2AATMKDM4E
SCHEMBL29672802 0.73 BTK (0.56) BTK
SCHEMBL730958 0.72 RAB9A (0.33) MEN1KMT2AKDM4EALDH1A1MAPK1
SCHEMBL731571 0.72 NR1H2 (0.44) TSHRMAPTRAB9A
SCHEMBL672108 0.72 KDM4E (0.50) KMT2AATMKDM4EALDH1A1HPGD
SCHEMBL2028396 0.71 ADH5 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 BTK 1282/4885MEN1 2567/4885TSHR 680/4885

“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.