SCHEMBL24934110

SCHEMBL24934110

Cn1cc(C(=O)NN)cc(Br)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 6/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.39
NSD2 O96028 1/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPI P09923 1/20 0.38
GAA P10253 1/20 0.38
ALPG P10696 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 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
SCHEMBL24934100 0.85 BRD4 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL15245139 0.81 BRD4 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL15245117 0.80 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL15245133 0.79 KDM4E (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL15228250 0.79 KDM4E (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL15245148 0.79 KDM4E (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2260637 0.79 TTR (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL15245009 0.78 BRD4 (0.44) KDM4EALDH1A1HTTTSHR
SCHEMBL18056286 0.78 MAPT (0.54) OGG1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL924584 0.78 ALDH1A1 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-11-07 US disclosed
EP-4377306-A1 ROCK2 INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2024-06-05 EP disclosed
CN-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 CN disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 WO disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 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-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF ROCK2, ROCK1, RHOA OGG1 2917/4885SMN1; SMN2 2085/4885CYP1A2 1370/4885

“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.