SCHEMBL22281280

SCHEMBL22281280

Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCc4ccccc43)cnc2c1-c1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.47
▸ TAS1R3 Q7RTX0 9/20 0.47
▸ TAS1R1 Q7RTX1 9/20 0.47
▸ TAS1R2 Q8TE23 8/20 0.47
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KCNA5 P22460 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ SPR P35270 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ CHRM4 P08173 1/20 0.38

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
SCHEMBL22281279 0.95 TAS1R3 (0.51) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL22281383 0.90 PDE2A (0.47) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL22281384 0.88 PDE2A (0.48) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL31171097 0.88 PDE2A (0.48) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL31171088 0.88 P2RX7 (0.39) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL22281282 0.88 P2RX7 (0.39) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL24251396 0.88 TAS1R3 (0.48) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL20768156 0.85 PDE2A (0.48) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL20768158 0.85 PDE2A (0.48) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL31171093 0.85 PDE2A (0.48) PDE2ATAS1R3TAS1R1TAS1R2ALDH1A1

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 PDE2A 785/4885TAS1R3 2894/4885TAS1R1 2607/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 PDE2A 785/4885TAS1R3 2894/4885TAS1R1 2607/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 PDE2A 785/4885TAS1R3 2894/4885TAS1R1 2607/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 PDE2A 684/4885TAS1R3 2879/4885TAS1R1 2418/4885

“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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