SCHEMBL25763594

SCHEMBL25763594

CN1CCC(N2CCN(c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(-c4noc(C5(C)CCCc6sc(N)c(C#N)c65)n4)n3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.63
SOS1 Q07889 2/20 0.63
GPR119 Q8TDV5 4/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
PIK3CA P42336 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ADORA2A P29274 1/20 0.31
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL25763583 0.96 KRAS (0.62) KRASSOS1GPR119OPRM1OPRD1
SCHEMBL25763179 0.96 KRAS (0.62) KRASSOS1GPR119OPRM1OPRD1
SCHEMBL25763175 0.95 KRAS (0.68) KRASSOS1GPR119PIK3CAADORA2A
SCHEMBL25763198 0.95 KRAS (0.68) KRASSOS1GPR119PIK3CAADORA2A
SCHEMBL25763596 0.94 KRAS (0.61) KRASSOS1GPR119OPRM1OPRD1
SCHEMBL25763585 0.93 KRAS (0.61) KRASSOS1GPR119PIK3CAADORA2A
SCHEMBL25763710 0.93 KRAS (0.66) KRASSOS1GPR119PIK3CAADORA2A
SCHEMBL25763602 0.92 KRAS (0.63) KRASSOS1GPR119PIK3CAADORA2A
SCHEMBL25763189 0.92 KRAS (0.61) KRASSOS1GPR119OPRM1OPRD1
SCHEMBL25763196 0.92 KRAS (0.61) KRASSOS1GPR119OPRM1OPRD1

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 522/4885GPR119 3231/4885

“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.