SCHEMBL18480508

SCHEMBL18480508

Cn1ncc(-c2ccnc(N[C@H]3CC[C@H](N)CC3)n2)c1C(O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.50
CDK4 P11802 12/20 0.49
GSK3B P49841 8/20 0.49
CDK2 P24941 4/20 0.49
CDK1 P06493 5/20 0.48
CCNB1 P14635 5/20 0.48
CSNK1A1 P48729 3/20 0.48
CDK7 P50613 3/20 0.48
MAPK8 P45983 3/20 0.48
MAPK9 P45984 3/20 0.48
CSNK1D P48730 2/20 0.48
CCNB2 O95067 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
CDC7 O00311 1/20 0.48
CHEK1 O14757 1/20 0.48
DCLK1 O15075 1/20 0.48
MAPK13 O15264 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 1/20 0.48

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
SCHEMBL20421778 1.00 PIK3C3 (0.50) PIK3C3CDK4GSK3BCDK2CDK1
SCHEMBL20445324 0.91 CDK4 (0.53) PIK3C3CDK4GSK3BCDK2CDK1
SCHEMBL8233031 0.84 PIK3C3 (0.54) PIK3C3CDK4GSK3BCDK2CDK1
SCHEMBL5311805 0.82 PIK3C3 (0.58) PIK3C3CDK4GSK3BCDK2CDK1
SCHEMBL5311802 0.82 PIK3C3 (0.58) PIK3C3CDK4GSK3BCDK2CDK1
SCHEMBL20445322 0.81 CDK4 (0.46) PIK3C3CDK4GSK3BCDK2CDK1
SCHEMBL19629622 0.79 CSNK1A1 (0.67) PIK3C3CDK4GSK3BCDK2CDK1
SCHEMBL20421794 0.79 CSNK1A1 (0.67) PIK3C3CDK4GSK3BCDK2CDK1
SCHEMBL19629620 0.79 CSNK1A1 (0.67) PIK3C3CDK4GSK3BCDK2CDK1
SCHEMBL20445312 0.78 PIK3C3 (0.52) PIK3C3CDK4GSK3BCDK2CDK1

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-20240207268-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-06-27 US disclosed
US-20240207268-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-06-27 US disclosed
US-20230047732-A1 PYRAZOLYLPYRIMIDINES AND USE THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2023-02-16 US disclosed
EP-3331877-B1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-09-22 EP disclosed
US-20210251992-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-08-19 US disclosed
WO-2021146220-A1 PYRAZOLYLPYRIMIDINES AND USE THEREOF BIOTHERYX, INC. (US) 2021-07-22 WO disclosed
US-10960003-B2 Pyrazole pyrimidine derivative and uses thereof BIOTHERYX, INC. (US) 2021-03-30 US disclosed
US-10376511-B2 Pyrazole pyrimidine derivative and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-08-13 US disclosed
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. ISRAELI COMPANY, OF (IL) 2018-08-02 US disclosed
WO-2017021969-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2017-02-09 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 (6 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-10960003-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 PIK3C3 403/4885CDK4 85/4885GSK3B 459/4885
US-20210251992-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 PIK3C3 403/4885CDK4 85/4885GSK3B 459/4885
US-20240207268-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR VHL, TP53, TYMP PIK3C3 2935/4885CDK4 48/4885GSK3B 1800/4885
US-10376511-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 PIK3C3 403/4885CDK4 85/4885GSK3B 459/4885
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 PIK3C3 403/4885CDK4 85/4885GSK3B 459/4885
US-20230047732-A1 PYRAZOLYLPYRIMIDINES AND USE THEREOF MCL1, THPO, FLT3 PIK3C3 1289/4885CDK4 507/4885GSK3B 4553/4885

“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.