SCHEMBL22474028

SCHEMBL22474028

Cc1nncn1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.37
PI4K2B Q8TCG2 3/20 0.37
PI4K2A Q9BTU6 3/20 0.37
PI4KB Q9UBF8 3/20 0.37
ADORA2A P29274 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR1 Q9BXC0 5/20 0.35
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
PRKCA P17252 1/20 0.35
JAK1 P23458 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
GAA P10253 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL22474026 0.98 MEN1 (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18912008 0.90
SCHEMBL22474029 0.81 HCAR1 (0.38) KMT2AHCAR1JAK2JAK1
SCHEMBL16906236 0.81 ALOX15 (0.40) JAK1GAAALOX15
SCHEMBL8179609 0.76 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL6970733 0.76 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
Hexazole SCHEMBL2111420 0.76 ALDH1A1 (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL32680234 0.73 ADORA2A (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL23638593 0.73 ALDH1A1 (0.33) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21783961 0.73 CCNT1 (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A

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
EP-3572401-B1 ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-09-29 EP disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 PI4KA 1973/4885PI4K2B 2224/4885PI4K2A 2225/4885
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 PI4KA 2027/4885PI4K2B 1882/4885PI4K2A 2038/4885

“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.