SCHEMBL6663757

SCHEMBL6663757

O=C(O)c1ccnn1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP2C19 P33261 1/20 0.36
GLS O94925 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 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
SCHEMBL29629574 0.85 PIM1 (0.41) PIM1PIM3PLK3PIM2HCAR2
SCHEMBL6663759 0.80 HCAR2 (0.38) DAOPIM1PIM3PLK3PIM2
SCHEMBL15130172 0.77 KDM4E (0.42) L3MBTL1MEN1KMT2AKDM4ECYP2C19
SCHEMBL28818413 0.75 NR3C2 (0.46) PIM1MEN1KMT2AKDM4EPOLB
SCHEMBL856957 0.74 POLB (0.52) L3MBTL1KDM4EGLSPOLBALDH1A1
SCHEMBL23780341 0.73 NAPRT (0.43) L3MBTL1MEN1KMT2AKDM4EGLS
SCHEMBL1906407 0.73 LMNA (0.39) L3MBTL1MEN1KMT2AKDM4ECYP2C19
Hydrochloric Acid SCHEMBL11893514 0.73 POLB (0.50) L3MBTL1KDM4ECYP2C19GLSPOLB
SCHEMBL29912643 0.72 ALKBH2 (0.50) PIM1PIM3L3MBTL1KDM4EALDH1A1
SCHEMBL4666204 0.72 ALKBH2 (0.50) PIM1PIM3L3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 EP claimed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 WO claimed
US-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BTK, LYN, LCK DAO 2719/4885PIM1 232/4885PIM3 309/4885

“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.