SCHEMBL22281278

SCHEMBL22281278

Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ BDKRB1 P46663 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ADA P00813 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
SCHEMBL22281382 0.95 P2RX7 (0.38) NTRK1BRD4CREBBPMAPK1P2RX7
SCHEMBL22281281 0.93 BRD4 (0.39) NTRK1BRD4CREBBPMAPK1P2RX7
SCHEMBL22461127 0.92 NTRK1 (0.38) NTRK1BRD4CREBBPMAPK1PDE2A
SCHEMBL22280893 0.91 P2RX7 (0.37) NTRK1BRD4CREBBPMAPK1P2RX7
SCHEMBL22281404 0.90 BRD4 (0.36) NTRK1BRD4CREBBPMAPK1P2RX7
SCHEMBL22281265 0.90 NTRK1 (0.38) NTRK1BRD4CREBBPMAPK1P2RX7
SCHEMBL22281282 0.89 P2RX7 (0.39) NTRK1BRD4CREBBPMAPK1P2RX7
SCHEMBL31171088 0.89 P2RX7 (0.39) NTRK1BRD4CREBBPMAPK1P2RX7
SCHEMBL22281232 0.89 BDKRB1 (0.37) NTRK1BRD4CREBBPMAPK1P2RX7
SCHEMBL22281223 0.88 NR3C1 (0.35) NTRK1BRD4CREBBPMAPK1P2RX7

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 4374/4885BRD4 1501/4885CREBBP 4233/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 NTRK1 4374/4885BRD4 1501/4885CREBBP 4233/4885

“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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