SCHEMBL23782219

SCHEMBL23782219

O=Cc1nc2c(OC(F)(F)F)cccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ GRIA1 P42261 2/20 0.35
▸ CACNG8 Q8WXS5 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ HCAR1 Q9BXC0 4/20 0.34
▸ SLC40A1 Q9NP59 1/20 0.33

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
SCHEMBL30181199 1.00 DRD2 (0.37) DRD2DRD4DRD3POLBNPSR1
SCHEMBL23782187 0.80 ALDH1A1 (0.50) HPGDPARP1
SCHEMBL17276057 0.77 NUDT1 (0.44) DRD2DRD4DRD3POLBNPSR1
SCHEMBL23800777 0.77 PARP1 (0.42) POLBKDM4EHPGDMEN1GAA
SCHEMBL9674862 0.77 MEN1 (0.58) DRD2DRD4DRD3POLBNPSR1
SCHEMBL2767156 0.74 EGLN1 (0.42) DHODHGAAL3MBTL1PARP1
SCHEMBL23782284 0.73 GNRHR (0.36) DRD2DRD4DRD3POLBKDM4E
Hydrochloric Acid SCHEMBL25221123 0.73 EGLN1 (0.41) POLBDHODHMEN1GAAMAPT
SCHEMBL23782282 0.72 KDM4E (0.34) POLBKDM4EHPGDMEN1GAA
SCHEMBL23782273 0.71 CYP2A6 (0.41) KDM4EHPGDMEN1GAAMAPT

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
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
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 DRD2 4282/4885DRD4 4644/4885DRD3 4609/4885

“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.

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