SCHEMBL9968776

SCHEMBL9968776

Cn1c2c(c3ccc(Br)nc31)C(=O)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.38
PLK1 P53350 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
UCHL1 P09936 1/20 0.33
ELANE P08246 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA6 Q16445 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
GRM2 Q14416 1/20 0.31
BRD4 O60885 1/20 0.31
POLB P06746 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL30339918 0.78 DDB1 (0.40) DDB1CRBNPOLBPARP1TNKS2
SCHEMBL1004761 0.78 DDB1 (0.40) DDB1CRBNPOLBPARP1TNKS2
SCHEMBL16943555 0.78 DRD2 (0.39)
SCHEMBL9930853 0.77 DDB1 (0.47) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL16943578 0.73 KCNH2 (0.42) PARP1PARP2
SCHEMBL9931609 0.73 MCHR1 (0.64)
SCHEMBL989533 0.73 DDB1 (0.42) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL16941572 0.72 KCNH2 (0.41)
SCHEMBL15688005 0.72 PLK1 (0.42) BUB1PLK1PIM1PIM2UCHL1
SCHEMBL18360477 0.71 KCNH2 (0.35)

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-10662193-B2 Carbazole and carboline compounds for use in the diagnosis, treatment, alleviation or prevention of disorders associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2020-05-26 US disclosed
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins LIFE MOLECULAR IMAGING LIMITED (GB) 2017-01-05 US disclosed
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins LIFE MOLECULAR IMAGING LIMITED (GB) 2017-01-05 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 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-10662193-B2 Carbazole and carboline compounds for use in the diagnosis, treatment, alleviation or prevention of disorders associated with amyloid or amyloid-like proteins APP, BACE1, PSEN1 BUB1 2925/4885PLK1 4346/4885PIM1 2403/4885
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC5R BUB1 1439/4885PLK1 4253/4885PIM1 3462/4885
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins APP, BACE1, PSEN1 BUB1 2925/4885PLK1 4346/4885PIM1 2403/4885

“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.