SCHEMBL17586641

SCHEMBL17586641

COc1ccc2nc(C)n(C(C)C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCND1 P24385 1/20 0.56
PIK3CD O00329 3/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CB P42338 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.44
PKM P14618 1/20 0.43
GFER P55789 1/20 0.43
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL17582786 0.84 NCF1 (0.46) CDK1CDK4CCNB1CCND1PIK3CD
SCHEMBL28326492 0.83 KDM4E (0.45) CDK1CDK4CCNB1CCND1PIK3CD
SCHEMBL23598170 0.80 CSNK1E (0.44) CDK1CDK4CCNB1CCND1KDM4E
SCHEMBL13057630 0.79 KMT2A (0.45) CDK1CDK4CCNB1CCND1PIK3CD
SCHEMBL19836554 0.78 CSNK1E (0.43) CDK1CDK4CCNB1CCND1LMNA
SCHEMBL13035828 0.78 ALDH1A1 (0.56) PIK3CDPIK3CAPIK3CBTDP1KDM4E
SCHEMBL12853410 0.77 FABP4 (0.48) CDK1CDK4CCNB1CCND1KDM4E
SCHEMBL29827557 0.77 FABP4 (0.48) CDK1CDK4CCNB1CCND1KDM4E
SCHEMBL16882402 0.74 TDP1 (0.77) PIK3CDPIK3CAPIK3CBTDP1KDM4E
SCHEMBL21122511 0.74 CSNK1E (0.40) CDK1CDK4CCNB1CCND1POLB

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-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
US-9481653-B2 Benzoimidazol-1,2-yl amides as Kv7 channel activators KNOPP BIOSCIENCES LLC (US) 2016-11-01 US 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 (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-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 CDK1 2797/4885CDK4 3634/4885CCNB1 4593/4885
US-20180148419-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 CDK1 2797/4885CDK4 3634/4885CCNB1 4593/4885
US-20160075663-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 CDK1 2797/4885CDK4 3634/4885CCNB1 4593/4885

“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.