SCHEMBL22968985

SCHEMBL22968985

Fc1cccc(Cc2cn[nH]c2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.52
ROCK2 O75116 5/20 0.45
NTRK1 P04629 1/20 0.45
NAMPT P43490 1/20 0.45
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
DAO P14920 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42

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
Hydrochloric Acid SCHEMBL29271362 0.98 PDE4B (0.51) PDE4BROCK2NTRK1NAMPTIDO1
Hydrochloric Acid SCHEMBL30986707 0.98 PDE4B (0.51) PDE4BROCK2NTRK1NAMPTIDO1
SCHEMBL28089823 0.82 NTRK1 (0.52) PDE4BROCK2NTRK1IDO1
Hydrochloric Acid SCHEMBL30986722 0.80 NTRK1 (0.51) PDE4BROCK2NTRK1IDO1
SCHEMBL22968793 0.79 ROCK2 (0.45) PDE4BROCK2NAMPTIDO1DAO
SCHEMBL22968941 0.79 PDE4B (0.52) PDE4BROCK2NAMPTIDO1AGXT
SCHEMBL3300303 0.79 TAAR1 (0.60) IDO1AGXTDAOHCAR2TAAR1
SCHEMBL22969026 0.79 PDE4B (0.55) PDE4BROCK2NAMPTIDO1DAO
SCHEMBL22968991 0.78 NTRK1 (0.42) PDE4BROCK2NTRK1IDO1AGXT
Hydrochloric Acid SCHEMBL29467188 0.78 IDO1 (0.46) PDE4BROCK2NAMPTIDO1DAO

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
CN-114206861-A Fused heteroaryl compounds useful as RIPK1 inhibitors 比西切姆有限公司 2022-03-18 CN disclosed
WO-2021029632-A1 FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS BISICHEM CO., LTD. (KR) 2021-02-18 WO disclosed
US-20210040115-A1 FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS BISICHEM CO., LTD. (KR) 2021-02-11 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 (1 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-20210040115-A1 FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS RIPK1, RIPK3, RIPK4 PDE4B 4578/4885ROCK2 350/4885NTRK1 383/4885

“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.