SCHEMBL25763578

SCHEMBL25763578

CN1CCN(c2cc(-c3noc(C4(C)CCCc5sc(N)c(C#N)c54)n3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.66
SOS1 Q07889 2/20 0.66
ADORA2A P29274 1/20 0.36
PIK3CA P42336 3/20 0.35
EGLN2 Q96KS0 1/20 0.35
KCNH2 Q12809 1/20 0.33
HDAC4 P56524 1/20 0.33
RET P07949 2/20 0.33
TBK1 Q9UHD2 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL25763198 0.91 KRAS (0.68) KRASSOS1ADORA2APIK3CAEGLN2
SCHEMBL25763175 0.91 KRAS (0.68) KRASSOS1ADORA2APIK3CAEGLN2
SCHEMBL25763600 0.90 KRAS (0.60) KRASSOS1ADORA2APIK3CA
SCHEMBL25763710 0.89 KRAS (0.66) KRASSOS1ADORA2APIK3CAEGLN2
SCHEMBL25763741 0.89 KRAS (0.60) KRASSOS1ADORA2APIK3CAEGLN2
SCHEMBL25764012 0.88 KRAS (0.83) KRASSOS1
SCHEMBL25763659 0.88 KRAS (0.60) KRASSOS1ADORA2APIK3CAEGLN2
SCHEMBL25763602 0.87 KRAS (0.63) KRASSOS1ADORA2APIK3CAEGLN2
SCHEMBL25763258 0.87 KRAS (0.60) KRASSOS1ADORA2APIK3CAEGLN2
SCHEMBL25763759 0.85 KRAS (0.63) KRASSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 US disclosed
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 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-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS KRAS 2/4885SOS1 522/4885ADORA2A 509/4885

“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.