SCHEMBL22280904

SCHEMBL22280904

Cc1nn2c(C3CC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ NR3C1 P04150 3/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ THRB P10828 1/20 0.35
▸ PDE2A O00408 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 0.91 BRD4 (0.39) P2RX7MAPK1NR3C1NTRK1BRD4
SCHEMBL22281265 0.90 NTRK1 (0.38) P2RX7MAPK1NR3C1NTRK1BRD4
SCHEMBL22280893 0.90 P2RX7 (0.37) P2RX7MAPK1NR3C1NTRK1BRD4
SCHEMBL22281264 0.88 BRD4 (0.41) P2RX7MAPK1NTRK1BRD4CREBBP
SCHEMBL22281230 0.88 NTRK1 (0.41) P2RX7MAPK1NR3C1NTRK1BRD4
SCHEMBL22281267 0.87 BRD4 (0.38) P2RX7MAPK1NR3C1NTRK1BRD4
SCHEMBL22281262 0.86 NTRK1 (0.40) P2RX7MAPK1NTRK1BRD4CREBBP
SCHEMBL22281263 0.84 P2RX7 (0.40) P2RX7MAPK1NTRK1BRD4CREBBP
SCHEMBL20768140 0.82 BRD4 (0.41) MAPK1NTRK1BRD4CREBBPPDE2A
SCHEMBL19492620 0.82 BRD4 (0.41) MAPK1NTRK1BRD4CREBBPPDE2A

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 P2RX7 8/4885MAPK1 3964/4885NR3C1 3494/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 P2RX7 8/4885MAPK1 3964/4885NR3C1 3494/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 P2RX7 8/4885MAPK1 3964/4885NR3C1 3494/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 P2RX7 8/4885MAPK1 3487/4885NR3C1 4133/4885

“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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