SCHEMBL22281232

SCHEMBL22281232

Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cc(Cl)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 2/20 0.37
▸ P2RX7 Q99572 5/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ TGFBR1 P36897 2/20 0.35
▸ NR3C1 P04150 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ ACVR1B P36896 1/20 0.34
▸ ACVRL1 P37023 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL22281227 0.92 P2RX7 (0.39) BDKRB1P2RX7MAPK1NTRK1BRD4
SCHEMBL22281223 0.91 NR3C1 (0.35) BDKRB1P2RX7MAPK1NTRK1BRD4
SCHEMBL22280893 0.90 P2RX7 (0.37) P2RX7MAPK1NTRK1BRD4CREBBP
SCHEMBL22281404 0.90 BRD4 (0.36) BDKRB1P2RX7MAPK1NTRK1BRD4
SCHEMBL22281381 0.90 PDE2A (0.36) MAPK1NTRK1BRD4CREBBPPDE2A
SCHEMBL22281403 0.89 PDE4A (0.38) BDKRB1P2RX7MAPK1LMNA
SCHEMBL22281225 0.89 BRD4 (0.37) BDKRB1P2RX7MAPK1NTRK1BRD4
SCHEMBL22281278 0.89 NTRK1 (0.37) BDKRB1P2RX7MAPK1NTRK1BRD4
SCHEMBL22281411 0.88 BRD4 (0.36) BDKRB1P2RX7MAPK1NTRK1BRD4
SCHEMBL31171095 0.88 MAPT (0.38) BDKRB1MAPK1NTRK1BRD4CREBBP

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 BDKRB1 1088/4885P2RX7 8/4885MAPK1 3964/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 BDKRB1 1088/4885P2RX7 8/4885MAPK1 3964/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 BDKRB1 1088/4885P2RX7 8/4885MAPK1 3964/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 BDKRB1 1127/4885P2RX7 8/4885MAPK1 3487/4885

“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.

Send feedback