SCHEMBL20355244

SCHEMBL20355244

COc1cccc(Nc2cc(CN(C)Cc3ccc(F)cc3)nc(N)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.51
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
EGFR P00533 2/20 0.41
KCNH3 Q9ULD8 1/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL29621792 1.00 ROCK1 (0.51) ROCK1POLBRAB9ANPC1MEN1
SCHEMBL20340278 0.95 ROCK1 (0.52) ROCK1POLBRAB9ANPC1MEN1
SCHEMBL29621866 0.95 ROCK1 (0.52) ROCK1POLBRAB9ANPC1MEN1
SCHEMBL24019179 0.93 ROCK1 (0.50) ROCK1POLBRAB9ANPC1MEN1
SCHEMBL29621826 0.93 ROCK1 (0.50) ROCK1POLBRAB9ANPC1MEN1
SCHEMBL20339011 0.93 ROCK1 (0.52) ROCK1POLBRAB9ANPC1MEN1
SCHEMBL29622017 0.93 ROCK1 (0.52) ROCK1POLBRAB9ANPC1MEN1
SCHEMBL20355509 0.88 ROCK1 (0.49) ROCK1POLBRAB9ANPC1MEN1
SCHEMBL29621789 0.88 ROCK1 (0.49) ROCK1POLBRAB9ANPC1MEN1
SCHEMBL29621881 0.87 RAB9A (0.47) ROCK1POLBRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2019-11-07 US disclosed
WO-2018122775-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2018-07-05 WO 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 (4 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-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA ROCK1 3651/4885POLB 1588/4885RAB9A 83/4885
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA ROCK1 3651/4885POLB 1588/4885RAB9A 83/4885
US-11174242-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ROCK1 3651/4885POLB 1588/4885RAB9A 83/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ROCK1 3651/4885POLB 1588/4885RAB9A 83/4885

“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.