SCHEMBL22280901

SCHEMBL22280901

Cc1nn2c(N3CCOCC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34

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
SCHEMBL22280900 0.94 ALDH1A1 (0.37) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL22280906 0.89 MAPK1 (0.36) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL22280903 0.89 MAPK1 (0.36) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL22281226 0.86 PDE2A (0.37) MAPK1PDE2ANTRK1BRD4CREBBP
SCHEMBL22281268 0.86 PDE2A (0.37) MAPK1PDE2ANTRK1BRD4CREBBP
SCHEMBL19492768 0.85 HSP90AA1 (0.40) MAPK1HSP90AA1TP53PDE2ACNR1
SCHEMBL22280899 0.84 MEN1 (0.40) ALDH1A1MAPK1MEN1KMT2AHSP90AA1
SCHEMBL24251447 0.82 CNR1 (0.39) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL22281225 0.81 BRD4 (0.37) MAPK1PDE2ANTRK1BRD4CREBBP
SCHEMBL22281411 0.81 BRD4 (0.36) MAPK1PDE2ANTRK1BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11001590-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 HPGD 300/4885ALDH1A1 1228/4885MAPK1 3964/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 HPGD 300/4885ALDH1A1 1228/4885MAPK1 3964/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 HPGD 300/4885ALDH1A1 1228/4885MAPK1 3964/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 HPGD 319/4885ALDH1A1 1241/4885MAPK1 3487/4885

“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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