SCHEMBL21855700

SCHEMBL21855700

CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2I)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
KDM1A O60341 2/20 0.41
TACR1 P25103 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL29505978 1.00 PDK2 (0.43) PDK2TSHRALOX15ATMGPR119
SCHEMBL28742472 0.88 PDK2 (0.40) PDK2GPR119HDAC1HDAC8HDAC6
SCHEMBL7710592 0.87 ADRA1D (0.46) PDK2TSHRALOX15ATMGPR119
SCHEMBL12877871 0.87 PDK2 (0.44) PDK2TSHRALOX15ATMGPR119
SCHEMBL31158306 0.86 ADRA1D (0.45) PDK2TSHRALOX15ATMGPR119
SCHEMBL4362609 0.86 GPR119 (0.44) PDK2TSHRALOX15ATMGPR119
SCHEMBL7704701 0.86 GPR119 (0.47) PDK2TSHRALOX15ATMGPR119
SCHEMBL29446735 0.86 GPR119 (0.44) PDK2TSHRALOX15ATMGPR119
SCHEMBL1513325 0.86 ADRA1D (0.45) PDK2TSHRALOX15ATMGPR119
SCHEMBL3254660 0.85 ADRA1D (0.47) PDK2TSHRALOX15ATMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-02-27 US disclosed
US-12187721-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2025-01-07 US disclosed
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
CN-114341124-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2022-04-12 CN disclosed
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2021-12-09 US disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO 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 (3 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-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C PDK2 1392/4885TSHR 3230/4885ALOX15 3988/4885
US-12187721-B2 Protein tyrosine phosphatase inhibitors PPM1A, PTP4A1, PPP5C PDK2 1537/4885TSHR 3250/4885ALOX15 4055/4885
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PTP4A1, PPP5C PDK2 1537/4885TSHR 3250/4885ALOX15 4055/4885

“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.