SCHEMBL13671985

SCHEMBL13671985

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNc2nc(Cl)ncc2Br)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
DRD2 P14416 6/20 0.41
DRD3 P35462 2/20 0.41
PBK Q96KB5 1/20 0.40
MERTK Q12866 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
BTK Q06187 3/20 0.38
CRHR1 P34998 3/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
KDM1A O60341 2/20 0.38
JAK3 P52333 1/20 0.38
CRHR2 Q13324 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL25691681 1.00 STK17B (0.45) STK17BSTK17ADRD2DRD3PBK
SCHEMBL30125365 1.00 STK17B (0.45) STK17BSTK17ADRD2DRD3PBK
SCHEMBL4475865 1.00 STK17B (0.45) STK17BSTK17ADRD2DRD3PBK
SCHEMBL13671917 0.90 STK17B (0.57) STK17BSTK17ADRD2DRD3PBK
SCHEMBL4480928 0.90 STK17B (0.57) STK17BSTK17ADRD2DRD3PBK
SCHEMBL13671918 0.88 STK17B (0.45) STK17BSTK17ADRD2DRD3PBK
SCHEMBL4477397 0.88 STK17B (0.45) STK17BSTK17ADRD2DRD3PBK
SCHEMBL20674042 0.86 BTK (0.47) STK17BSTK17ADRD2MERTKCKS1B
SCHEMBL29785350 0.86 BTK (0.47) STK17BSTK17ADRD2MERTKCKS1B
SCHEMBL28385129 0.86 BTK (0.47) STK17BSTK17ADRD2MERTKCKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672791-B2 Tyrosine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2023-06-13 US disclosed
US-20230012676-A1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2023-01-19 US disclosed
US-11110082-B2 Tyrosine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2021-09-07 US disclosed
US-10434096-B2 Tyrosine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-10-08 US disclosed
US-20190099411-A1 TYROSINE KINASE INHIBITORS MIDCAP FINANCIAL TRUST 2019-04-04 US disclosed
US-20180008589-A1 TYROSINE KINASE INHIBITORS MIDCAP FINANCIAL TRUST 2018-01-11 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 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 (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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH STK17B 591/4885STK17A 542/4885DRD2 2565/4885
US-20190099411-A1 TYROSINE KINASE INHIBITORS TYRO3, AXL, RET STK17B 1434/4885STK17A 908/4885DRD2 3996/4885
US-11110082-B2 Tyrosine kinase inhibitors TYRO3, AXL, RET STK17B 1434/4885STK17A 908/4885DRD2 3996/4885
US-20230012676-A1 TYROSINE KINASE INHIBITORS TYRO3, AXL, RET STK17B 1434/4885STK17A 908/4885DRD2 3996/4885
US-10434096-B2 Tyrosine kinase inhibitors TYRO3, AXL, RET STK17B 1434/4885STK17A 908/4885DRD2 3996/4885
US-20180008589-A1 TYROSINE KINASE INHIBITORS TYRO3, AXL, RET STK17B 1434/4885STK17A 908/4885DRD2 3996/4885
US-11672791-B2 Tyrosine kinase inhibitors TYRO3, AXL, RET STK17B 1434/4885STK17A 908/4885DRD2 3996/4885

“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.