SCHEMBL24091447

SCHEMBL24091447

CC1C(C)N(c2cc(C#N)nc(Cl)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.46
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ NSD2 O96028 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ AR P10275 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ USP30 Q70CQ3 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
SCHEMBL24091570 0.86 GPR119 (0.47) GPR119NR1H2NR1H3NSD2GRM5
SCHEMBL24091409 0.83 GPR119 (0.44) GPR119MAP4K4ARPIK3CD
SCHEMBL24091357 0.82 GPR119 (0.50) GPR119
SCHEMBL25762606 0.82 GPR119 (0.50) GPR119NR1H2NR1H3MAP4K4PIK3CD
SCHEMBL24091433 0.82 GPR119 (0.48) GPR119NSD2GRM5OPRK1AR
SCHEMBL24091573 0.82 GPR119 (0.50) GPR119NR1H2NR1H3MAP4K4PIK3CD
SCHEMBL24091518 0.82 GPR119 (0.56) GPR119NSD2EHMT2
SCHEMBL24091355 0.78 GPR119 (0.50) GPR119NR1H2NSD2EHMT2USP30
SCHEMBL24091543 0.78 GPR119 (0.51) GPR119MAP4K4NSD2AREHMT2
SCHEMBL24091690 0.78 GPR119 (0.51) GPR119MAP4K4NSD2AREHMT2

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 3231/4885NR1H2 4626/4885NR1H3 4655/4885
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS GPR119 3666/4885NR1H2 4740/4885NR1H3 4763/4885

“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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