SCHEMBL17586642

SCHEMBL17586642

Cc1nc2ccc(Br)cc2n1C1CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.56
CCNT1 O60563 1/20 0.56
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
HCAR1 Q9BXC0 2/20 0.45
MCHR1 Q99705 3/20 0.44
DYRK1A Q13627 2/20 0.44
DYRK2 Q92630 2/20 0.44
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 2/20 0.40
CLK1 P49759 1/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL2493364 0.97 CDK9 (0.60) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL19698020 0.95 CDK9 (0.58) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL30847394 0.94 CDK9 (0.51) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL17678202 0.94 CDK9 (0.51) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL21025758 0.88 KDM4E (0.62) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15206670 0.87 CDK9 (0.46) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15206671 0.87 CDK9 (0.46) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL25523015 0.87 CDK9 (0.46) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL19703388 0.87 CDK9 (0.46) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL31454367 0.85 CDK9 (0.44) CDK9CCNT1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20180148419-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2018-05-31 US disclosed
US-9914708-B2 Benzoimidazol-1,2-yl amides as Kv7 channel activators KNOPP BIOSCIENCES LLC (US) 2018-03-13 US disclosed
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-04-27 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
US-9481653-B2 Benzoimidazol-1,2-yl amides as Kv7 channel activators KNOPP BIOSCIENCES LLC (US) 2016-11-01 US disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-20160075663-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2016-03-17 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 (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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CDK9 3556/4885CCNT1 3777/4885KDM4E 3788/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 CDK9 2025/4885CCNT1 3757/4885KDM4E 611/4885
US-20180148419-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 CDK9 2025/4885CCNT1 3757/4885KDM4E 611/4885
US-20160075663-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 CDK9 2025/4885CCNT1 3757/4885KDM4E 611/4885

“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.