SCHEMBL18480591

SCHEMBL18480591

CN[C@H]1CC[C@H](Nc2nccc(-c3cnn(C)c3CC3CC3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.55
CDK7 P50613 2/20 0.55
CDK9 P50750 2/20 0.55
CCNK O75909 1/20 0.55
CDK13 Q14004 1/20 0.55
CDK12 Q9NYV4 1/20 0.55
CCNT1 O60563 1/20 0.55
CSNK1D P48730 1/20 0.55
CSNK1E P49674 1/20 0.55
CCNH P51946 1/20 0.55
PIK3C3 Q8NEB9 5/20 0.53
PIK3CD O00329 2/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CG P48736 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
CDK4 P11802 12/20 0.50
GSK3B P49841 7/20 0.50
CDK2 P24941 4/20 0.50
CDK1 P06493 3/20 0.46
CCNA2 P20248 3/20 0.46

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
SCHEMBL20421895 1.00 CSNK1A1 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL19629618 1.00 CSNK1A1 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL19629619 0.92 CSNK1A1 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL19630864 0.92 CSNK1A1 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL20421794 0.91 CSNK1A1 (0.67) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL19629622 0.91 CSNK1A1 (0.67) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL19629620 0.91 CSNK1A1 (0.67) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL18480113 0.90 PIK3C3 (0.61) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL25025606 0.89 PIK3C3 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL20421786 0.89 CSNK1A1 (0.52) CSNK1A1CDK7CDK9CCNKCDK13

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-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
WO-2019173224-A1 DEUTERATED COMPOUNDS AND CHIMERAS AND USES THEREOF BIOTHERYX, INC. (US) 2019-09-12 WO 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 CSNK1A1 5/4885CDK7 238/4885CDK9 137/4885
US-20210251992-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 CSNK1A1 5/4885CDK7 238/4885CDK9 137/4885
US-20240207268-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR VHL, TP53, TYMP CSNK1A1 1246/4885CDK7 451/4885CDK9 472/4885
US-10376511-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 CSNK1A1 5/4885CDK7 238/4885CDK9 137/4885
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 CSNK1A1 5/4885CDK7 238/4885CDK9 137/4885
US-20230047732-A1 PYRAZOLYLPYRIMIDINES AND USE THEREOF MCL1, THPO, FLT3 CSNK1A1 4254/4885CDK7 427/4885CDK9 487/4885

“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.