SCHEMBL22280899

SCHEMBL22280899

Cc1nn2c(N3CCOCC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ P2RX7 Q99572 5/20 0.37
▸ CNR2 P34972 4/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ BDKRB1 P46663 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL22281228 0.89 BRD4 (0.39) MAPK1P2RX7BRD4CREBBPBDKRB1
SCHEMBL22281382 0.87 P2RX7 (0.38) MAPK1P2RX7BRD4CREBBPBDKRB1
SCHEMBL22280905 0.87 BRD4 (0.37) MAPK1P2RX7BRD4CREBBPBDKRB1
SCHEMBL22280900 0.85 ALDH1A1 (0.37) MEN1KMT2ARXFP1MAPK1HSP90AA1
SCHEMBL19492768 0.84 HSP90AA1 (0.40) MAPK1HSP90AA1CNR2BRD4CREBBP
SCHEMBL22280901 0.84 HPGD (0.39) MEN1KMT2AMAPK1HSP90AA1CNR2
SCHEMBL22281265 0.83 NTRK1 (0.38) MEN1KMT2AMAPK1P2RX7BRD4
SCHEMBL22280903 0.83 MAPK1 (0.36) MEN1KMT2AMAPK1HSP90AA1CNR2
SCHEMBL22281267 0.81 BRD4 (0.38) MAPK1P2RX7BRD4CREBBPNR3C1
SCHEMBL22281278 0.81 NTRK1 (0.37) MEN1KMT2AMAPK1P2RX7BRD4

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 MEN1 2949/4885KMT2A 2383/4885RXFP1 516/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 MEN1 2949/4885KMT2A 2383/4885RXFP1 516/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 MEN1 2949/4885KMT2A 2383/4885RXFP1 516/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 MEN1 3220/4885KMT2A 2586/4885RXFP1 639/4885

“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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