SCHEMBL22281230

SCHEMBL22281230

Cc1nn2c(C3CC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.41
▸ P2RX7 Q99572 2/20 0.40
▸ MAPK1 P28482 3/20 0.37
▸ NR3C1 P04150 4/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL22281262 0.91 NTRK1 (0.40) NTRK1P2RX7MAPK1TRPV1BRD4
SCHEMBL22281265 0.91 NTRK1 (0.38) NTRK1P2RX7MAPK1NR3C1TRPV1
SCHEMBL22280904 0.88 P2RX7 (0.39) NTRK1P2RX7MAPK1NR3C1BRD4
SCHEMBL22281267 0.87 BRD4 (0.38) NTRK1P2RX7MAPK1NR3C1TRPV1
SCHEMBL22281228 0.87 BRD4 (0.39) NTRK1P2RX7MAPK1NR3C1TRPV1
SCHEMBL22281264 0.86 BRD4 (0.41) NTRK1P2RX7MAPK1TRPV1BRD4
SCHEMBL22281263 0.86 P2RX7 (0.40) NTRK1P2RX7MAPK1TRPV1BRD4
SCHEMBL22281278 0.81 NTRK1 (0.37) NTRK1P2RX7MAPK1NR3C1TRPV1
SCHEMBL22281229 0.81 MAPK1 (0.38) NTRK1MAPK1BRD4CREBBPPDE2A
SCHEMBL20768140 0.80 BRD4 (0.41) NTRK1MAPK1TRPV1BRD4CREBBP

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 NTRK1 4374/4885P2RX7 8/4885MAPK1 3964/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 NTRK1 4374/4885P2RX7 8/4885MAPK1 3964/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 NTRK1 4374/4885P2RX7 8/4885MAPK1 3964/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 NTRK1 4347/4885P2RX7 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.

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