SCHEMBL22441232

SCHEMBL22441232

CCCCC(Cc1cccc(OC)c1)NC(=O)C12CC(NC(=O)c3ccncc3)(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.43
ROCK1 Q13464 9/20 0.43
PRKACA P17612 4/20 0.43
PRKX P51817 3/20 0.43
PRKCQ Q04759 3/20 0.43
GSK3A P49840 3/20 0.43
GSK3B P49841 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
AURKA O14965 1/20 0.40
NAMPT P43490 1/20 0.40
LPAR3 Q9UBY5 1/20 0.39
GRK5 P34947 1/20 0.39
CTSK P43235 1/20 0.39
PRKG1 Q13976 3/20 0.39
CHEK1 O14757 2/20 0.39

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 1.00 ROCK2 (0.43) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL29369889 1.00 ROCK2 (0.43) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL22457599 0.87 ROCK2 (0.42) ROCK2ROCK1PRKACAPRKXPRKCQ
SCHEMBL22441353 0.87 CTSK (0.43) TAS1R3TAS1R1LPAR3CTSK
SCHEMBL22441350 0.87 CTSK (0.43) TAS1R3TAS1R1LPAR3CTSK
SCHEMBL29365641 0.83 CTSK (0.48) TAS1R3TAS1R1LPAR3CTSKFFAR2
SCHEMBL31382758 0.83 CTSK (0.48) TAS1R3TAS1R1LPAR3CTSKFFAR2
Hydrochloric Acid SCHEMBL22441261 0.82 CTSK (0.45) TAS1R3TAS1R1LPAR3CTSK
Hydrochloric Acid SCHEMBL22441259 0.82 CTSK (0.45) TAS1R3TAS1R1LPAR3CTSK
Hydrochloric Acid SCHEMBL29366291 0.82 CTSK (0.45) TAS1R3TAS1R1LPAR3CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3931183-B1 COMPOUNDS WITH FERROPTOSIS INDUCING ACTIVITY AND METHODS OF THEIR USE FERRO THERAPEUTICS INC (US) 2025-02-12 EP disclosed
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.