SCHEMBL28967641

SCHEMBL28967641

Nc1c[nH]c2ccc(Br)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.33
CDK5R1 Q15078 4/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CCNA1 P78396 1/20 0.33
CLK1 P49759 2/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
PRKACA P17612 2/20 0.33
PRKACG P22612 2/20 0.33
PRKACB P22694 2/20 0.33
GSK3B P49841 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL30166978 1.00 CDK5 (0.33) CDK5CDK5R1CCNT1CCNA2CDK2
Hydrochloric Acid SCHEMBL30175988 0.98 CDK5 (0.33) CDK5CDK5R1CCNT1CCNA2CDK2
SCHEMBL3621093 0.76 SIRT2 (0.44) HTR1DHTR1BHTR1FCYP1A2
SCHEMBL30020863 0.76 SIRT2 (0.44) HTR1DHTR1BHTR1FCYP1A2
SCHEMBL22070423 0.76 MAPK1 (0.50) CDK5CDK5R1CLK1HTR1DHTR1B
SCHEMBL23625709 0.76 PIM1 (0.34) HTR1DHTR1BHTR1FPIM1
SCHEMBL31405763 0.76 MAPK1 (0.50) CDK5CDK5R1CLK1HTR1DHTR1B
SCHEMBL24208338 0.76 HTR1D (0.50) CDK5CDK5R1CLK1HTR1DHTR1B
Hydrochloric Acid SCHEMBL23166264 0.74 CCR1 (0.41) HTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL30166987 0.74 SIRT2 (0.43) HTR1DHTR1BHTR1FCYP1A2

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-20240279205-A1 NOVEL BENZIMIDAZOLE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2024-08-22 US disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 CN 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-20240279205-A1 NOVEL BENZIMIDAZOLE DERIVATIVE STING1, IRF3, TBK1 CDK5 3718/4885CDK5R1 2405/4885CCNT1 1861/4885

“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.