SCHEMBL24010679

SCHEMBL24010679

COc1ccc2c(OC3CCNCC3)ccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.51
KCNH2 Q12809 2/20 0.51
ROCK1 Q13464 1/20 0.49
NCF1 P14598 1/20 0.46
MET P08581 3/20 0.46
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
KRAS P01116 1/20 0.45
SOS1 Q07889 1/20 0.45
AURKA O14965 2/20 0.44
KDR P35968 2/20 0.44
TEK Q02763 2/20 0.44
RIPK3 Q9Y572 1/20 0.44
GAK O14976 1/20 0.43
RIPK2 O43353 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43
NMT1 P30419 3/20 0.42

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
Hydrochloric Acid SCHEMBL23360259 0.99 ALK (0.50) ALKKCNH2ROCK1NCF1MET
Hydrochloric Acid SCHEMBL29862461 0.99 ALK (0.50) ALKKCNH2ROCK1NCF1MET
Hydrochloric Acid SCHEMBL23360167 0.89 NCF1 (0.54) ALKKCNH2ROCK1NCF1HTR1A
SCHEMBL24837609 0.84 HTR1A (0.44) ALKKCNH2METHTR1AADRA1D
SCHEMBL24010701 0.84 HTR1A (0.44) ALKKCNH2METHTR1AADRA1D
Hydrochloric Acid SCHEMBL23359655 0.83 KRAS (0.55) NCF1KRASSOS1TGFBR1
Hydrochloric Acid SCHEMBL29862588 0.83 ALK (0.47) ALKKCNH2ROCK1HTR1AADRA1D
Hydrochloric Acid SCHEMBL23360666 0.83 ALK (0.47) ALKKCNH2ROCK1HTR1AADRA1D
SCHEMBL29862704 0.82 NCF1 (0.50) KCNH2ROCK1NCF1HTR1AADRA1D
Hydrochloric Acid SCHEMBL23360370 0.81 NCF1 (0.49) KCNH2ROCK1NCF1HTR1AADRA1D

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
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 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 (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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 ALK 2143/4885KCNH2 4285/4885ROCK1 905/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 ALK 2143/4885KCNH2 4285/4885ROCK1 905/4885

“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.