SCHEMBL25895349

SCHEMBL25895349

CC(C)N=C=NCCc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
TAAR1 Q96RJ0 1/20 0.42
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
HTT P42858 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CYP2C19 P33261 1/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL23465175 0.83 ADRA2A (0.51) ADRA2AADRA2BADRA2CTAAR1PTGS1
SCHEMBL841961 0.75 ADRA2A (0.55) ADRA2AADRA2BADRA2CTAAR1PTGS1
SCHEMBL2241797 0.74 ADRA2A (0.53) ADRA2AADRA2BADRA2CTAAR1PTGS1
SCHEMBL9816188 0.74 ADRA2A (0.53) ADRA2AADRA2BADRA2CTAAR1PTGS1
SCHEMBL921584 0.73
SCHEMBL6661845 0.71 ADRA2A (0.50) ADRA2AADRA2BADRA2CTAAR1PTGS1
SCHEMBL151464 0.68
SCHEMBL919357 0.68 TAAR1 (0.55) ADRA2AADRA2BADRA2CTAAR1PTGS1
SCHEMBL4217136 0.68 TAAR1 (0.39) ADRA2AADRA2BADRA2CTAAR1PTGS1
SCHEMBL7510225 0.67

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
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS ADRA2A 4578/4885ADRA2B 4278/4885ADRA2C 4273/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR ADRA2A 4544/4885ADRA2B 4561/4885ADRA2C 4685/4885

“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.