SCHEMBL19912779

SCHEMBL19912779

CC(C)(C)NC(=O)/C=C/CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
EGFR P00533 4/20 0.37
LMNA P02545 1/20 0.36
BTK Q06187 2/20 0.33
JAK2 O60674 1/20 0.33
FLT3 P36888 1/20 0.33
ELANE P08246 5/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 1/20 0.32
ERBB2 P04626 1/20 0.32
ACKR3 P25106 1/20 0.31

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
SCHEMBL19442308 0.98 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1EGFRLMNABTK
SCHEMBL19669740 0.87 LMNA (0.38) SMN1; SMN2ALDH1A1EGFRLMNABTK
SCHEMBL19912771 0.87 PKM (0.36) SMN1; SMN2ALDH1A1EGFRLMNAJAK2
SCHEMBL24637162 0.85 EGFR (0.34) SMN1; SMN2ALDH1A1EGFRLMNAJAK2
SCHEMBL15600841 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1EGFRBTKMEN1
SCHEMBL19669759 0.85 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1EGFRBTKELANE
SCHEMBL20235763 0.84 ACKR3 (0.35) SMN1; SMN2ALDH1A1EGFRLMNAJAK2
SCHEMBL15601163 0.84 KMT2A (0.36) SMN1; SMN2ALDH1A1EGFRLMNAJAK2
SCHEMBL19669738 0.84 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1EGFRLMNAJAK2
SCHEMBL15600836 0.83 SIGMAR1 (0.41) SMN1; SMN2ALDH1A1EGFRLMNAJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016811-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-MICROTUBULE AGENT AURIGENE ONCOLOGY LIMITED (IN) 2024-01-18 US disclosed
US-20240016811-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-MICROTUBULE AGENT AURIGENE ONCOLOGY LIMITED (IN) 2024-01-18 US disclosed
US-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 US disclosed
US-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 US disclosed
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-30 US disclosed
US-11174232-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-16 US disclosed
US-20200262793-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-08-20 US disclosed
US-10689347-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-06-23 US disclosed
US-20180155293-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-06-07 US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 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 (8 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-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK9, CDK1 SMN1; SMN2 1062/4885ALDH1A1 4813/4885EGFR 2065/4885
US-11174232-B2 Substituted heterocyclyl derivatives as CDK inhibitors CDK19, CDK9, CDK1 SMN1; SMN2 1062/4885ALDH1A1 4813/4885EGFR 2065/4885
US-20240016811-A1 CANCER THERAPY USING A COMBINATION OF CDK7 INHIBITOR WITH AN ANTI-MICROTUBULE AGENT CDK7, CDK17, HDAC7 SMN1; SMN2 1366/4885ALDH1A1 2661/4885EGFR 2251/4885
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 SMN1; SMN2 1504/4885ALDH1A1 4435/4885EGFR 2707/4885
US-20180155293-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK17, CDK1 SMN1; SMN2 1068/4885ALDH1A1 4829/4885EGFR 1969/4885
US-10689347-B2 Substituted heterocyclyl derivatives as CDK inhibitors CDK19, CDK9, CDK1 SMN1; SMN2 1062/4885ALDH1A1 4813/4885EGFR 2065/4885
US-20200262793-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK9, CDK1 SMN1; SMN2 1062/4885ALDH1A1 4813/4885EGFR 2065/4885
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors CDK15, CDK1, CDK19 SMN1; SMN2 1504/4885ALDH1A1 4435/4885EGFR 2707/4885

“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.