SCHEMBL19836554

SCHEMBL19836554

Cc1nc2ccc(C(C)C)cc2n1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK4 Q9NR20 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
BRD4 O60885 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CDK1 P06493 2/20 0.42
CDK4 P11802 2/20 0.42
CCNB1 P14635 2/20 0.42
CCND1 P24385 2/20 0.42
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL11535686 0.86 SMN1; SMN2 (0.46) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL23598170 0.84 CSNK1E (0.44) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL13677547 0.82 LMNA (0.51) DYRK1ABRD4SMN1; SMN2LMNANPC1
SCHEMBL12853410 0.81 FABP4 (0.48) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL29827557 0.81 FABP4 (0.48) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL21122511 0.78 CSNK1E (0.40) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL17586641 0.78 CDK1 (0.56) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL12349865 0.77 SMN1; SMN2 (0.45) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL19836570 0.77 KMT2A (0.47) BRD4SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL27120383 0.76 CDK9 (0.49) CLK1DYRK1ADYRK2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-11642342-B2 Combinations of estrogen receptor degraders and cyclin-dependent kinase inhibitors for treating cancer Accutar Biotechnology (US) 2023-05-09 US disclosed
US-11642342-B2 Combinations of estrogen receptor degraders and cyclin-dependent kinase inhibitors for treating cancer Accutar Biotechnology (US) 2023-05-09 US disclosed
US-11111233-B2 Amino pyrimidine compound for inhibiting protein tyrosine kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-09-07 US disclosed
WO-2020151742-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-07-30 WO disclosed
US-10550103-B2 Dual inhibitors of PARP1 and CDK Accutar Biotechnology (US) 2020-02-04 US disclosed
US-10519136-B2 Dual inhibitors of PARP1 and CDK Accutar Biotechnology (US) 2019-12-31 US disclosed
US-20190202806-A1 DUAL INHIBITORS OF PARP1 AND CDK ACCUTAR BIOTECHNOLOGY INC. 2019-07-04 US disclosed
US-20190202807-A1 DUAL INHIBITORS OF PARP1 AND CDK Accutar Biotechnology 2019-07-04 US disclosed
EP-3492462-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-06-05 EP disclosed
US-20190152954-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2019-05-23 US disclosed
WO-2018019204-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY 深圳市塔吉瑞生物医药有限公司 2018-02-01 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 (7 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-20190202806-A1 DUAL INHIBITORS OF PARP1 AND CDK PARP1, PARP11, PARP12 CSNK1E 358/4885CLK1 239/4885CLK2 236/4885
US-11642342-B2 Combinations of estrogen receptor degraders and cyclin-dependent kinase inhibitors for treating cancer CDK3, CDK4, CDK1 CSNK1E 69/4885CLK1 463/4885CLK2 369/4885
US-20190152954-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY LCK, WEE1, JAK1 CSNK1E 99/4885CLK1 1644/4885CLK2 1324/4885
US-10519136-B2 Dual inhibitors of PARP1 and CDK PARP1, PARP11, PARP12 CSNK1E 358/4885CLK1 239/4885CLK2 236/4885
US-10550103-B2 Dual inhibitors of PARP1 and CDK PARP1, PARP11, PARP12 CSNK1E 358/4885CLK1 239/4885CLK2 236/4885
US-20190202807-A1 DUAL INHIBITORS OF PARP1 AND CDK PARP1, PARP11, PARP12 CSNK1E 358/4885CLK1 239/4885CLK2 236/4885
US-11111233-B2 Amino pyrimidine compound for inhibiting protein tyrosine kinase activity LCK, WEE1, JAK1 CSNK1E 99/4885CLK1 1644/4885CLK2 1324/4885

“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.