SCHEMBL29778402

SCHEMBL29778402

CN(C)CCNC(=O)c1cc(F)cc(Cn2ccc3cc(-c4ccnn4C)ccc3c2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
WDR5 P61964 2/20 0.40
P2RX7 Q99572 2/20 0.40
HPGD P15428 1/20 0.40
PDGFRA P16234 2/20 0.39
MAP4K4 O95819 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CDC7 O00311 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
S1PR3 Q99500 1/20 0.35
CACNA1G O43497 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL24616874 1.00 KDM4E (0.40) KDM4EALDH1A1GAAWDR5P2RX7
SCHEMBL24616927 0.89 KDM4E (0.44) KDM4EALDH1A1GAAHPGDPDGFRA
SCHEMBL31232266 0.89 KDM4E (0.44) KDM4EALDH1A1GAAHPGDPDGFRA
SCHEMBL24616954 0.88 P2RX7 (0.43) KDM4EWDR5P2RX7SMN1; SMN2S1PR3
SCHEMBL29778509 0.85 WDR5 (0.45) WDR5P2RX7PDGFRAS1PR3
SCHEMBL24617632 0.85 WDR5 (0.45) WDR5P2RX7PDGFRAS1PR3
SCHEMBL29779037 0.84 BRD4 (0.40) WDR5P2RX7CD274
SCHEMBL24617336 0.84 BRD4 (0.40) WDR5P2RX7CD274
SCHEMBL24617629 0.83 AKT1 (0.39) WDR5P2RX7MAP4K4
SCHEMBL29778591 0.83 MAP4K4 (0.43) WDR5P2RX7MAP4K4CD274HDAC4

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
US-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF Genosco Inc. 2024-11-14 US claimed
US-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF Genosco Inc. 2024-11-14 US disclosed
EP-4274825-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2023-11-15 EP disclosed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 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 (1 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-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF ROCK2, ROCK1, MYLK3 KDM4E 1545/4885ALDH1A1 4655/4885GAA 3360/4885

“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.