SCHEMBL18879031

SCHEMBL18879031

CNc1ccnc2cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.45
DYRK1A Q13627 1/20 0.40
ROCK1 Q13464 2/20 0.39
ROCK2 O75116 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.33
TNNI3K Q59H18 2/20 0.33
BRAF P15056 1/20 0.33
PRKCI P41743 2/20 0.32
AXL P30530 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
NR4A2 P43354 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
HTR1A P08908 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31

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
SCHEMBL30167002 0.74 MAPK1 (0.45) MAPK1DYRK1AIRAK4PRKCIAXL
SCHEMBL1473042 0.74 MAPK1 (0.45) MAPK1DYRK1AIRAK4PRKCIAXL
SCHEMBL3093132 0.71 PRKCI (0.55) DYRK1AROCK1ROCK2CDC42BPACDC42BPB
SCHEMBL29691438 0.69 DYRK1A (0.53) MAPK1DYRK1APRKCIAXLADRA2A
SCHEMBL21938395 0.69 MAPK1 (0.45) MAPK1DYRK1AIRAK4PRKCIAXL
SCHEMBL24348992 0.69 MAPK1 (0.45) MAPK1DYRK1APRKCIAXL
SCHEMBL27813658 0.69 PRKCI (0.48) MAPK1DYRK1APRKCIAXLADRA2A
SCHEMBL2628882 0.69 MAPK1 (0.45) MAPK1DYRK1APRKCIAXLNR4A2
SCHEMBL1473269 0.69 DYRK1A (0.53) MAPK1DYRK1APRKCIAXLADRA2A
SCHEMBL845394 0.69 MAPK1 (0.41) MAPK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
WO-2023125803-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京鞍石生物科技有限责任公司 2023-07-06 WO disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 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 (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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 MAPK1 795/4885DYRK1A 860/4885ROCK1 1295/4885
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 MAPK1 166/4885DYRK1A 260/4885ROCK1 518/4885

“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.