SCHEMBL22281229

SCHEMBL22281229

COc1c(F)cc(F)c(-c2c(C)nn3c(C4CC4)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 8/20 0.38
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ THRB P10828 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
SCHEMBL22280890 0.91 MAPK1 (0.37) MAPK1TP53MAPTALDH1A1LMNA
SCHEMBL22461373 0.91 MAPK1 (0.37) MAPK1TP53MAPTALDH1A1LMNA
SCHEMBL22280906 0.89 MAPK1 (0.36) MAPK1TP53MAPTALDH1A1LMNA
SCHEMBL22281263 0.83 P2RX7 (0.40) MAPK1LMNAPDE2ANTRK1BRD4
SCHEMBL22281262 0.83 NTRK1 (0.40) MAPK1TP53MAPTLMNANTRK1
SCHEMBL22281264 0.82 BRD4 (0.41) MAPK1MAPTPDE2ANTRK1BRD4
SCHEMBL22281267 0.81 BRD4 (0.38) MAPK1PDE2ANTRK1BRD4CREBBP
SCHEMBL22281402 0.81 MAPK1 (0.35) MAPK1TP53MAPTALDH1A1LMNA
SCHEMBL22281230 0.81 NTRK1 (0.41) MAPK1MAPTLMNAPDE2ANTRK1
SCHEMBL22281265 0.80 NTRK1 (0.38) MAPK1MAPTPDE2ANTRK1BRD4

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 3964/4885TP53 2133/4885MAPT 4495/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 MAPK1 3964/4885TP53 2133/4885MAPT 4495/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 MAPK1 3964/4885TP53 2133/4885MAPT 4495/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 MAPK1 3487/4885TP53 2346/4885MAPT 4346/4885

“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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