SCHEMBL21775965

SCHEMBL21775965

CC(C)c1cccc(C(=O)NC2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
HTR4 Q13639 2/20 0.49
SMYD3 Q9H7B4 5/20 0.49
DRD4 P21917 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53BP1 Q12888 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KHK P50053 2/20 0.47

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
SCHEMBL21775966 0.92 CBLB (0.48) ROCK2ROCK1NPC1RAB9ADRD4
SCHEMBL12026594 0.90 ROCK2 (0.59) ROCK2ROCK1NPC1RAB9ASMYD3
SCHEMBL14441170 0.87 RAB9A (0.65) ROCK2ROCK1NPC1RAB9AL3MBTL1
SCHEMBL24726480 0.86 RAB9A (0.68) ROCK2ROCK1NPC1RAB9AL3MBTL1
SCHEMBL27396502 0.86 RAB9A (0.68) ROCK2ROCK1NPC1RAB9AL3MBTL1
SCHEMBL25647122 0.86 RAB9A (0.68) ROCK2ROCK1NPC1RAB9AL3MBTL1
SCHEMBL12089754 0.83 SMYD3 (0.50) NPC1RAB9AHTR4SMYD3SMN1; SMN2
SCHEMBL13130451 0.83 ROCK2 (0.58) ROCK2ROCK1NPC1RAB9ASMYD3
SCHEMBL279972 0.82 NPC1 (0.74) NPC1RAB9ASMYD3L3MBTL1KHK
Hydrochloric Acid SCHEMBL28155978 0.81 NPC1 (0.72) NPC1RAB9ASMYD3L3MBTL1KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988482-B2 IRAK4 inhibitor and use thereof Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2021-04-27 US disclosed
US-20200062775-A1 IRAK4 INHIBITOR AND USE THEREOF Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2020-02-27 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-10988482-B2 IRAK4 inhibitor and use thereof IRAK4, IRAK1, IRAK2 ROCK2 1641/4885ROCK1 1160/4885NPC1 1555/4885
US-20200062775-A1 IRAK4 INHIBITOR AND USE THEREOF IRAK4, IRAK1, IRAK2 ROCK2 1641/4885ROCK1 1160/4885NPC1 1555/4885

“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.