SCHEMBL22281233

SCHEMBL22281233

CCc1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3ccc(F)c(OC)c3F)c(C)nn12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.36
▸ MAPK1 P28482 5/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ BDKRB1 P46663 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
SCHEMBL22461373 0.91 MAPK1 (0.37) NTRK1MAPK1PDE2AMAPTALDH1A1
SCHEMBL22281266 0.89 MAPK1 (0.35) NTRK1MAPK1PDE2AMAPTBRD4
SCHEMBL22281402 0.89 MAPK1 (0.35) NTRK1MAPK1PDE2AMAPTBRD4
SCHEMBL22280903 0.87 MAPK1 (0.36) NTRK1MAPK1PDE2AMAPTBRD4
SCHEMBL22281408 0.82 TAS1R3 (0.36) NTRK1MAPK1PDE2AMAPTBRD4
SCHEMBL22281229 0.81 MAPK1 (0.38) NTRK1MAPK1PDE2AMAPTBRD4
SCHEMBL22281381 0.81 PDE2A (0.36) NTRK1MAPK1PDE2AMAPTBRD4
SCHEMBL19492795 0.81 MAPK1 (0.40) NTRK1MAPK1PDE2ABRD4CREBBP
SCHEMBL20768124 0.81 MAPK1 (0.40) NTRK1MAPK1PDE2ABRD4CREBBP
SCHEMBL22280890 0.79 MAPK1 (0.37) NTRK1MAPK1PDE2AMAPTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934301-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-03-02 — — 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 (2 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-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 NTRK1 4374/4885MAPK1 3964/4885PDE2A 785/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 NTRK1 4374/4885MAPK1 3964/4885PDE2A 785/4885

“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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