SCHEMBL23782292

SCHEMBL23782292

N#Cc1ncc(C2CC2)nc1NC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
CTSL P07711 3/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM3 P20309 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
CHUK O15111 1/20 0.38
NSD2 O96028 1/20 0.36
GAA P10253 1/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL23782317 0.97 CTSK (0.38) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL30180791 0.87 MAPK8 (0.45) CHUK
SCHEMBL30181060 0.87 MAPK8 (0.45) CHUK
SCHEMBL23782254 0.87 MAPK8 (0.45) CHUK
SCHEMBL23782234 0.87 MAPK8 (0.45) CHUK
SCHEMBL23799095 0.87 MAPK8 (0.45) CHUK
SCHEMBL23799087 0.87 NSD2 (0.40) CTSKNSD2
SCHEMBL23782208 0.86 PDE10A (0.33) CTSKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23782256 0.85 MAPK8 (0.34) CHUKGAA
SCHEMBL23801312 0.85 MAPK8 (0.34) CHUKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192700-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2023-06-22 US disclosed
US-20230192700-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2023-06-22 US disclosed
US-20230192700-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2023-06-22 US disclosed
EP-4114837-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 Bayer Aktiengesellschaft (DE) 2023-01-11 EP disclosed
WO-2021176049-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2021-09-10 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-20230192700-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 CDK12, CDK1, CDK15 CTSK 3356/4885CTSL 3814/4885CTSB 3855/4885

“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.