SCHEMBL20768126

SCHEMBL20768126

CC(C)c1c(C(=O)O)cnc2c(Br)c(C(F)F)nn12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PPARA Q07869 2/20 0.31

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
SCHEMBL19464053 0.83 KDM4E (0.43) ALDH1A1KDM4EADORA3ADORA2AADORA1
SCHEMBL19492615 0.83 KDM4E (0.40) ALDH1A1KDM4ETDP1POLBL3MBTL1
SCHEMBL19464016 0.78 PPARA (0.37) ALDH1A1KDM4ETDP1POLBL3MBTL1
SCHEMBL19463245 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1ADORA3ADORA2A
SCHEMBL20768138 0.74 PDE2A (0.50) ALDH1A1POLB
SCHEMBL19464223 0.74 PDE2A (0.50) ALDH1A1POLB
SCHEMBL20768153 0.72 BRD4 (0.38) —
SCHEMBL22264044 0.72 BRD4 (0.38) —
SCHEMBL19492644 0.72 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1POLBL3MBTL1
SCHEMBL28618596 0.71 KDM4E (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442974-B1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2023-06-07 — — EP disclosed
CN-109071545-B Novel pyrazolopyrimidine derivatives 拜耳动物保健有限责任公司 2021-08-03 — — CN disclosed
US-11001590-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-05-11 — — US disclosed
US-11001590-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-05-11 — — US disclosed
US-10934301-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-03-02 — — US disclosed
US-10934301-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-03-02 — — US disclosed
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-09-24 — — US disclosed
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-09-24 — — US disclosed
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-07-30 — — US disclosed
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-07-30 — — US disclosed
US-10604525-B2 Pyrazolopyrimidine derivatives BAYAL ANIMAL HEALTH GMBH (DE) 2020-03-31 — — US disclosed
US-20190071447-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-03-07 — — US disclosed
US-20190071447-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-03-07 — — US 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-10604525-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 ALDH1A1 1297/4885KDM4E 1438/4885TDP1 1732/4885
US-11001590-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 ALDH1A1 1228/4885KDM4E 1445/4885TDP1 1742/4885
US-20190071447-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 ALDH1A1 1297/4885KDM4E 1438/4885TDP1 1732/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 ALDH1A1 1228/4885KDM4E 1445/4885TDP1 1742/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 ALDH1A1 1228/4885KDM4E 1445/4885TDP1 1742/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 ALDH1A1 1241/4885KDM4E 1658/4885TDP1 1668/4885

“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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