SCHEMBL22461373

SCHEMBL22461373

CCc1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3c(F)cc(F)c(OC)c3F)c(C)nn12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.37
▸ TP53 P04637 3/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PDE2A O00408 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
SCHEMBL22281233 0.91 NTRK1 (0.36) MAPK1TP53NTRK1MAPTALDH1A1
SCHEMBL22281229 0.91 MAPK1 (0.38) MAPK1TP53NTRK1MAPTALDH1A1
SCHEMBL22280890 0.89 MAPK1 (0.37) MAPK1TP53NTRK1MAPTALDH1A1
SCHEMBL22280906 0.88 MAPK1 (0.36) MAPK1TP53NTRK1MAPTALDH1A1
SCHEMBL19492795 0.80 MAPK1 (0.40) MAPK1NTRK1PDE2A
SCHEMBL20768124 0.80 MAPK1 (0.40) MAPK1NTRK1PDE2A
SCHEMBL22281402 0.79 MAPK1 (0.35) MAPK1TP53NTRK1MAPTALDH1A1
SCHEMBL22281266 0.79 MAPK1 (0.35) MAPK1TP53NTRK1MAPTALDH1A1
SCHEMBL22280903 0.78 MAPK1 (0.36) MAPK1NTRK1MAPTALDH1A1LMNA
SCHEMBL22280891 0.77 MAPK1 (0.38) MAPK1NTRK1MAPTLMNATHRB

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-11001590-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-05-11 — — US disclosed
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-09-24 — — 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-11001590-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 MAPK1 3964/4885TP53 2133/4885NTRK1 4374/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 MAPK1 3487/4885TP53 2346/4885NTRK1 4347/4885

“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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