SCHEMBL22281268

SCHEMBL22281268

Cc1nn2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ MAPK1 P28482 4/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ THRB P10828 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TAS1R3 Q7RTX0 3/20 0.34
▸ TAS1R1 Q7RTX1 3/20 0.34
▸ TAS1R2 Q8TE23 3/20 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
SCHEMBL22281269 0.94 BRD4 (0.39) PDE2ANTRK1MAPK1BRD4CREBBP
SCHEMBL22281266 0.88 MAPK1 (0.35) PDE2ANTRK1MAPK1BRD4CREBBP
SCHEMBL22281226 0.88 PDE2A (0.37) PDE2ANTRK1MAPK1BRD4CREBBP
SCHEMBL24251393 0.87 BRD4 (0.37) NTRK1MAPK1BRD4CREBBPTRPV1
SCHEMBL22280901 0.86 HPGD (0.39) PDE2ANTRK1MAPK1BRD4CREBBP
SCHEMBL22280905 0.83 BRD4 (0.37) PDE2ANTRK1MAPK1BRD4CREBBP
SCHEMBL22281225 0.82 BRD4 (0.37) PDE2ANTRK1MAPK1BRD4CREBBP
SCHEMBL22281411 0.82 BRD4 (0.36) PDE2ANTRK1MAPK1BRD4CREBBP
SCHEMBL23343385 0.81 BRD4 (0.39) PDE2ANTRK1MAPK1BRD4CREBBP
SCHEMBL22280900 0.81 ALDH1A1 (0.37) PDE2ANTRK1MAPK1BRD4CREBBP

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 3 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-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 (3 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 785/4885NTRK1 4374/4885MAPK1 3964/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 PDE2A 785/4885NTRK1 4374/4885MAPK1 3964/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 PDE2A 785/4885NTRK1 4374/4885MAPK1 3964/4885

“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