SCHEMBL31688018

SCHEMBL31688018

COc1cc(-c2cc3c(o2)c(=O)n(-c2cncc4cccnc24)c(=O)n3CCC#N)c(Cl)cc1F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ CYP3A4 P08684 5/20 0.30
▸ NPBWR1 P48145 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP1A2 P05177 4/20 0.30
▸ ALDH1A1 P00352 3/20 0.30
▸ CYP2D6 P10635 3/20 0.30
▸ HPGD P15428 2/20 0.30
▸ HSD17B10 Q99714 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL31688006 0.90 NPBWR1 (0.36) GRM4P2RX3CYP3A4NPBWR1CYP2C9
SCHEMBL31687992 0.86 PRKDC (0.30) P2RX3PRKDC
SCHEMBL27192044 0.85 CYP3A4 (0.32) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL31688010 0.83 NPBWR1 (0.36) GRM4P2RX3NPBWR1CYP1A2ALDH1A1
SCHEMBL31688002 0.79 BRD4 (0.34) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL31688019 0.78 NPBWR1 (0.34) NPBWR1
SCHEMBL31688009 0.77 NPBWR1 (0.36) GRM4NPBWR1CYP1A2ALDH1A1HPGD
SCHEMBL27192020 0.75 P2RX7 (0.34) GRM4P2RX3CYP3A4NPBWR1CYP2C9
SCHEMBL27192025 0.75 CYP1A2 (0.32) P2RX3CYP3A4CYP2C9CYP1A2ALDH1A1
SCHEMBL30702030 0.74 P2RX3 (0.31) SCN9AGRM4P2RX3CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-09-25 — — 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-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE SCN9A 2499/4885JAK2 1994/4885JAK1 1583/4885

“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