SCHEMBL22281382

SCHEMBL22281382

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NR3C1 P04150 3/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ BDKRB1 P46663 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 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
SCHEMBL22281278 0.95 NTRK1 (0.37) P2RX7BRD4CREBBPMAPK1NR3C1
SCHEMBL22281404 0.93 BRD4 (0.36) P2RX7BRD4CREBBPMAPK1NR3C1
SCHEMBL22281281 0.92 BRD4 (0.39) P2RX7BRD4CREBBPMAPK1NTRK1
SCHEMBL22280893 0.92 P2RX7 (0.37) P2RX7BRD4CREBBPMAPK1NR3C1
SCHEMBL22281228 0.90 BRD4 (0.39) P2RX7BRD4CREBBPMAPK1NR3C1
SCHEMBL22461127 0.90 NTRK1 (0.38) BRD4CREBBPMAPK1NTRK1TRPV1
SCHEMBL22281282 0.89 P2RX7 (0.39) P2RX7BRD4CREBBPMAPK1NTRK1
SCHEMBL31171088 0.89 P2RX7 (0.39) P2RX7BRD4CREBBPMAPK1NTRK1
SCHEMBL22280905 0.88 BRD4 (0.37) P2RX7BRD4CREBBPMAPK1NR3C1
SCHEMBL24251501 0.88 BRD4 (0.38) P2RX7BRD4CREBBPMAPK1NTRK1

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 8/4885BRD4 1501/4885CREBBP 4233/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 P2RX7 8/4885BRD4 1501/4885CREBBP 4233/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 P2RX7 8/4885BRD4 1501/4885CREBBP 4233/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 P2RX7 8/4885BRD4 1183/4885CREBBP 3888/4885

“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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