SCHEMBL24091573

SCHEMBL24091573

C[C@H]1CN(c2cc(C#N)nc(Cl)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.50
▸ MAP4K4 O95819 2/20 0.49
▸ PIK3CD O00329 5/20 0.48
▸ SUV39H2 Q9H5I1 2/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ PANK3 Q9H999 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ BTK Q06187 2/20 0.38
▸ PIK3C2B O00750 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ YES1 P07947 1/20 0.37
▸ HCK P08631 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ EPHA1 P21709 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37

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
SCHEMBL25762606 1.00 GPR119 (0.50) GPR119MAP4K4PIK3CDSUV39H2HDAC1
SCHEMBL24091690 0.87 GPR119 (0.51) GPR119MAP4K4PIK3CDSUV39H2CHRM4
SCHEMBL24091543 0.87 GPR119 (0.51) GPR119MAP4K4PIK3CDSUV39H2CHRM4
SCHEMBL24851473 0.85 MAP4K4 (0.52) GPR119MAP4K4SUV39H2HDAC1NR1H2
SCHEMBL24851584 0.85 MAP4K4 (0.52) GPR119MAP4K4SUV39H2HDAC1NR1H2
SCHEMBL24091409 0.84 GPR119 (0.44) GPR119MAP4K4PIK3CDSUV39H2
SCHEMBL24091761 0.84 SUV39H2 (0.47) GPR119MAP4K4PIK3CDSUV39H2HDAC1
SCHEMBL24091571 0.83 GPR119 (0.64) GPR119MAP4K4SUV39H2NR1H2NR1H3
SCHEMBL24091447 0.82 GPR119 (0.46) GPR119MAP4K4PIK3CDNR1H2NR1H3
SCHEMBL22578826 0.82 PIK3CD (0.68) PIK3CDPIK3R1

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 4 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
WO-2023099612-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 — — WO disclosed
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2021-12-09 — — 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-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS GPR119 3231/4885MAP4K4 979/4885PIK3CD 1901/4885
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS GPR119 3666/4885MAP4K4 1142/4885PIK3CD 2102/4885

“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.

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