SCHEMBL22457599

SCHEMBL22457599

CCCCN[C@@H](Cc1cccc(OC)c1)NC(=O)C12CC(NC(=O)c3ccncc3)(C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.42
ROCK1 Q13464 8/20 0.42
PRKACA P17612 4/20 0.42
PRKX P51817 3/20 0.42
PRKCQ Q04759 3/20 0.42
GSK3A P49840 3/20 0.42
GSK3B P49841 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
AURKA O14965 1/20 0.39
NAMPT P43490 1/20 0.39
GRK5 P34947 1/20 0.38
PRKG1 Q13976 3/20 0.38
CHEK1 O14757 2/20 0.38
RPS6KA5 O75582 2/20 0.38
PRKCG P05129 2/20 0.38
CDK1 P06493 2/20 0.38
RPS6KB1 P23443 2/20 0.38

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
SCHEMBL22441230 0.87 ROCK2 (0.43) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL22441232 0.87 ROCK2 (0.43) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL29369889 0.87 ROCK2 (0.43) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL22457598 0.83 CTSK (0.43) LPAR3MEN1KMT2A
SCHEMBL22457601 0.76 ROCK1 (0.45) ROCK2ROCK1CYP3A4AURKALPAR3
SCHEMBL22458106 0.73 GRM4 (0.51) CDK5LPAR3LMNAMAPTHTT
SCHEMBL22457756 0.73 PTAFR (0.47) SMN1; SMN2MEN1KMT2A
SCHEMBL22441350 0.73 CTSK (0.43) LPAR3MEN1KMT2A
SCHEMBL22441353 0.73 CTSK (0.43) LPAR3MEN1KMT2A
SCHEMBL22457745 0.72 TAS1R3 (0.49) CYP3A4MAPK1HTTKMT2A

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
US-20220002280-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2022-01-06 US disclosed
US-11040964-B2 Compounds and methods of use Ferro Therapeutics, Inc. (US) 2021-06-22 US disclosed
US-20200299283-A1 COMPOUNDS AND METHODS OF USE BRIDGEBIO PHARMA, INC. 2020-09-24 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 (3 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-20220002280-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 ROCK2 804/4885ROCK1 1393/4885PRKACA 1281/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 ROCK2 804/4885ROCK1 1393/4885PRKACA 1281/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 ROCK2 804/4885ROCK1 1393/4885PRKACA 1281/4885

“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.