SCHEMBL16154696

SCHEMBL16154696

CC(C)(C)n1cc2c(n1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
HTT P42858 2/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 4/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
NR4A1 P22736 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR2 Q92731 1/20 0.36
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL18883055 0.96 PDK2 (0.44) PDK2HTTGAASMN1; SMN2TSHR
SCHEMBL22509498 0.79 PDK2 (0.48) PDK2
SCHEMBL22509496 0.79 PDK2 (0.39) PDK2
SCHEMBL22509500 0.76 PDK2 (0.45) PDK2TSHR
SCHEMBL24597186 0.74 PDK2 (0.41) PDK2
SCHEMBL20302625 0.74 PDK2 (0.41) PDK2SMN1; SMN2POLB
SCHEMBL12691793 0.74 PDK2 (0.53) PDK2HTTKMT2AMAPTRAB9A
SCHEMBL7996526 0.72 DRD4 (0.46) HTTGAASMN1; SMN2TSHRKMT2A
SCHEMBL19498003 0.72 PDK2 (0.44) PDK2
SCHEMBL25086328 0.72 PDK2 (0.36) PDK2SMN1; SMN2KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides ASTRAZENECA (SE) 2024-01-02 US disclosed
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides ASTRAZENECA (SE) 2024-01-02 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230312550-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)-QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2023-10-05 US disclosed
US-20230312550-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)-QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2023-10-05 US disclosed
US-11760764-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-30 US disclosed
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-30 US disclosed
US-20220017565-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-01-20 US disclosed
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2021-05-13 US disclosed
US-20210139530-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-05-13 US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 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 (12 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 PDK2 413/4885HTT 1041/4885GAA 2676/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 PDK2 1819/4885HTT 3665/4885GAA 17/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP PDK2 149/4885HTT 2375/4885GAA 1100/4885
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof GABRR1, GABRB1, GABRD PDK2 315/4885HTT 1804/4885GAA 1659/4885
US-11760764-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 PDK2 80/4885HTT 4099/4885GAA 732/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD PDK2 1847/4885HTT 3558/4885GAA 18/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 PDK2 413/4885HTT 1041/4885GAA 2676/4885
US-20210139530-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF GABRD, GABRR1, GABRA1 PDK2 406/4885HTT 2148/4885GAA 2330/4885
US-20230312550-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)-QUINOLINE-4-CARBOXAMIDES FAP, PREP, CTRL PDK2 2365/4885HTT 2899/4885GAA 69/4885
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides FAP, PREP, CTRL PDK2 2365/4885HTT 2899/4885GAA 69/4885
US-20220017565-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF GABRR1, GABRB1, GABRD PDK2 315/4885HTT 1804/4885GAA 1659/4885
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 PDK2 114/4885HTT 3598/4885GAA 3090/4885

“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.