SCHEMBL22280903

SCHEMBL22280903

COc1c(F)ccc(-c2c(C)nn3c(N4CCOCC4)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL22280906 0.91 MAPK1 (0.36) MAPK1MEN1KMT2AHSP90AA1CNR1
SCHEMBL22280901 0.89 HPGD (0.39) MAPK1MEN1KMT2AHSP90AA1CNR1
SCHEMBL22281266 0.87 MAPK1 (0.35) MAPK1ALDH1A1NTRK1PDE2ABRD4
SCHEMBL22281402 0.87 MAPK1 (0.35) MAPK1ALDH1A1NTRK1PDE2ABRD4
SCHEMBL22281233 0.87 NTRK1 (0.36) MAPK1ALDH1A1NTRK1PDE2ABRD4
SCHEMBL22280900 0.86 ALDH1A1 (0.37) MAPK1MEN1KMT2AHSP90AA1CNR1
SCHEMBL22280899 0.83 MEN1 (0.40) MAPK1MEN1KMT2AHSP90AA1CNR1
SCHEMBL19492768 0.81 HSP90AA1 (0.40) MAPK1HSP90AA1CNR1CNR2NTRK1
SCHEMBL22281408 0.81 TAS1R3 (0.36) MAPK1ALDH1A1NTRK1PDE2ABRD4
SCHEMBL22281229 0.80 MAPK1 (0.38) MAPK1ALDH1A1NTRK1PDE2ABRD4

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 MAPK1 3964/4885MEN1 2949/4885KMT2A 2383/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 MAPK1 3964/4885MEN1 2949/4885KMT2A 2383/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 MAPK1 3964/4885MEN1 2949/4885KMT2A 2383/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 MAPK1 3487/4885MEN1 3220/4885KMT2A 2586/4885

“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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