SCHEMBL18787933

SCHEMBL18787933

Cn1cnc2c(O)ncc(Br)c21

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHCYL1 O43865 3/20 0.31
▸ ADORA2A P29274 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2B P67870 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ CSNK2A3 Q8NEV1 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ NTSR1 P30989 1/20 0.30
▸ MC3R P41968 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30
▸ SIRT3 Q9NTG7 1/20 0.30
▸ GDA Q9Y2T3 1/20 0.30
▸ NR2E1 Q9Y466 1/20 0.30

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
SCHEMBL25241852 0.78 CDK1 (0.35) ADORA2AADORA1CSNK2A2CSNK2BCSNK2A1
SCHEMBL3411236 0.72 ADORA2A (0.34) ADORA2AADORA1PIK3CDPOLBADORA3
SCHEMBL30206029 0.72 IKBKB (0.33) ADORA2AADORA1PIK3CDPOLBADORA3
SCHEMBL18232336 0.70 CDK1 (0.35) ADORA2AADORA1CSNK2A2CSNK2BCSNK2A1
SCHEMBL30377425 0.70 CDK1 (0.35) ADORA2AADORA1CSNK2A2CSNK2BCSNK2A1
SCHEMBL20155269 0.69 F2RL1 (0.31) —
SCHEMBL25212510 0.68 PDE4A (0.32) —
SCHEMBL31179352 0.67 MAPT (0.40) ADORA2AADORA1PIK3CDPOLBADORA3
SCHEMBL30206215 0.67 DPP4 (0.39) ADORA2AADORA1CSNK2A2CSNK2BCSNK2A1
SCHEMBL29173579 0.67 DPP4 (0.39) ADORA2AADORA1CSNK2A2CSNK2BCSNK2A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452216-B Anti-fibrotic pyridinones 英特穆恩公司 2022-08-26 — — CN disclosed
EP-3126362-B1 ANTI-FIBROTIC PYRIDINONES INTERMUNE INC (US) 2022-01-12 — — EP disclosed
US-10544161-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2020-01-28 — — US disclosed
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2019-05-16 — — US disclosed
US-10233195-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-03-19 — — US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 — — 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-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 AHCYL1 1476/4885ADORA2A 1901/4885ADORA1 3592/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 AHCYL1 1476/4885ADORA2A 1901/4885ADORA1 3592/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 AHCYL1 1476/4885ADORA2A 1901/4885ADORA1 3592/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 AHCYL1 1476/4885ADORA2A 1901/4885ADORA1 3592/4885

“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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