SCHEMBL22461393

SCHEMBL22461393

Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CC(c4ccc(Cl)c(-c5c(C)nn6c(C(C)C)c(C(=O)N[C@H]7CCOc8ccccc87)cnc56)c4Cl)c4ccccc43)cnc2c1-c1cccc(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ P2RX7 Q99572 5/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ BDKRB1 P46663 2/20 0.31
▸ NTRK1 P04629 2/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL22281404 0.92 BRD4 (0.36) BRD4CREBBPP2RX7MAPK1KDM4C
SCHEMBL31171088 0.87 P2RX7 (0.39) BRD4CREBBPP2RX7MAPK1NTRK1
SCHEMBL22281282 0.87 P2RX7 (0.39) BRD4CREBBPP2RX7MAPK1NTRK1
SCHEMBL22281382 0.86 P2RX7 (0.38) BRD4CREBBPP2RX7MAPK1NR3C1
SCHEMBL22281411 0.85 BRD4 (0.36) BRD4CREBBPP2RX7MAPK1BDKRB1
SCHEMBL23343385 0.85 BRD4 (0.39) BRD4CREBBPMAPK1NTRK1TRPV1
SCHEMBL22281281 0.85 BRD4 (0.39) BRD4CREBBPP2RX7MAPK1BDKRB1
SCHEMBL22281223 0.84 NR3C1 (0.35) BRD4CREBBPP2RX7MAPK1NR3C1
SCHEMBL22281225 0.84 BRD4 (0.37) BRD4CREBBPP2RX7MAPK1BDKRB1
SCHEMBL22281278 0.84 NTRK1 (0.37) BRD4CREBBPP2RX7MAPK1NR3C1

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-11001590-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-05-11 — — US disclosed
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-09-24 — — 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-11001590-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 BRD4 1501/4885CREBBP 4233/4885P2RX7 8/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 BRD4 1183/4885CREBBP 3888/4885P2RX7 8/4885

“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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