SCHEMBL21365950

SCHEMBL21365950

Oc1cc(-c2cccs2)nc(C2CCCNC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.48
CCNA2 P20248 2/20 0.48
CDK2 P24941 2/20 0.48
CCNA1 P78396 2/20 0.48
ACP1 P24666 1/20 0.43
PBK Q96KB5 9/20 0.40
CDK2AP1 O14519 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
IKBKB O14920 1/20 0.37

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
SCHEMBL25087254 0.79 DRD2 (0.41) CHEK1CCNA2CDK2CCNA1IKBKB
Hydrochloric Acid SCHEMBL22122657 0.77 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1IKBKB
SCHEMBL22900753 0.71 PDE2A (0.38) ACP1
SCHEMBL21365959 0.71 ALDH1A1 (0.42)
SCHEMBL21365951 0.70 GPR119 (0.44)
SCHEMBL7014154 0.68 HTR6 (0.45) CHEK1CCNA2CDK2CCNA1
SCHEMBL26457435 0.68 PDE2A (0.43)
Hydrochloric Acid SCHEMBL4138260 0.68 GRM5 (0.53)
Hydrochloric Acid SCHEMBL4146906 0.68 GRM5 (0.53)
SCHEMBL2034798 0.67 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
US-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-21 US disclosed
WO-2019177975-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-09-19 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 (2 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-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS PGLS, MGAM, GMDS CHEK1 3391/4885CCNA2 3811/4885CDK2 2603/4885
US-11691967-B2 Antibiotics effective for gram-negative pathogens PGLS, MGAM, GMDS CHEK1 3391/4885CCNA2 3811/4885CDK2 2603/4885

“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.