SCHEMBL23508399

SCHEMBL23508399

COc1ccc2[nH]c(CNc3nc(N4C[C@@H](C)N[C@@H](C)C4)nc4c(Br)cnn34)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 6/20 0.37
CSNK1D P48730 5/20 0.37
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34
CDK12 Q9NYV4 2/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
CDK13 Q14004 1/20 0.33
GSK3B P49841 1/20 0.32
BCL6 P41182 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
ZAP70 P43403 1/20 0.31
KARS1 Q15046 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
DRD4 P21917 2/20 0.31
PIK3CA P42336 1/20 0.31
CCNK O75909 1/20 0.30

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
SCHEMBL23508547 0.91 PIK3CA (0.40) CSNK1ECSNK1DKLK1KLK5CDK12
SCHEMBL23508413 0.89 CTNNB1 (0.32) CSNK1ECSNK1DCDK12CDK4CDK6
SCHEMBL23508550 0.87 CSNK1D (0.49) CSNK1ECSNK1DCDK12CDK4CDK6
SCHEMBL23508549 0.87 CSNK1D (0.39) CSNK1ECSNK1DKLK1KLK5DRD4
SCHEMBL23508232 0.86 CSNK1E (0.50) CSNK1ECSNK1DCDK12CDK4CDK6
SCHEMBL23508261 0.86 HTR3A (0.37) CSNK1ECSNK1DKLK1KLK5CDK12
SCHEMBL23508265 0.83 KCNQ3 (0.34) CSNK1ECSNK1DKLK1KLK5CDK12
SCHEMBL23508389 0.81 PDE10A (0.31)
SCHEMBL23508086 0.81 KLK1 (0.37) CSNK1ECSNK1DKLK1KLK5GSK3B
Hydrochloric Acid SCHEMBL30012852 0.80 KLK1 (0.36) CSNK1ECSNK1DKLK1KLK5GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 US disclosed
WO-2021116178-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-17 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 (1 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-20230117034-A1 PYRAZOLOTRIAZINES BRCA1, TPX2, CCND2 CSNK1E 1596/4885CSNK1D 963/4885KLK1 833/4885

“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.