SCHEMBL3969901

SCHEMBL3969901

COc1cc(C)cc2ncccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.64
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NSD2 O96028 1/20 0.43
CASP6 P55212 1/20 0.43
G6PD P11413 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MMP14 P50281 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3969897 0.84 SYK (0.46) SYKPDGFRBPDGFRAALDH1A1SMN1; SMN2
SCHEMBL27980378 0.82 SYK (0.64) SYKPDGFRBPDGFRAALDH1A1SMN1; SMN2
SCHEMBL29505009 0.81 SYK (0.62) SYKPDGFRBPDGFRASMN1; SMN2LMNA
SCHEMBL14658527 0.81 SYK (0.62) SYKPDGFRBPDGFRASMN1; SMN2LMNA
SCHEMBL22116920 0.81 SYK (0.62) SYKPDGFRBPDGFRASMN1; SMN2LMNA
SCHEMBL8410414 0.79 SYK (0.59) SYKPDGFRBPDGFRALMNANSD2
SCHEMBL24345363 0.78 SYK (0.59) SYKPDGFRBPDGFRAALDH1A1SMN1; SMN2
SCHEMBL14659234 0.78 SYK (1.00) SYKPDGFRBPDGFRASMN1; SMN2
SCHEMBL12629435 0.78 HTR1A (0.53) SYKPDGFRBPDGFRA
SCHEMBL96953 0.77 SYK (0.57) SYKPDGFRBPDGFRAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351570-B2 Disubstituted alkyne derivatives MERCK PATENT GMBH (DE) 2025-07-08 US disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO disclosed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP disclosed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003053940-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-$G(A) CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 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 (3 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-12351570-B2 Disubstituted alkyne derivatives BRCA1, MYC, PCNA SYK 3420/4885PDGFRB 502/4885PDGFRA 529/4885
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 SYK 2476/4885PDGFRB 438/4885PDGFRA 581/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA SYK 3420/4885PDGFRB 502/4885PDGFRA 529/4885

“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.