SCHEMBL13722653

SCHEMBL13722653

NCc1nc(C2CCCNC2)no1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
IKBKB O14920 2/20 0.33
CHUK O15111 1/20 0.33
HTR2A P28223 1/20 0.33
KDM1A O60341 1/20 0.32

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
SCHEMBL28005361 0.85 HTR2A (0.34) CHEK1CCNA2CDK2CCNA1HTR2A
SCHEMBL13522013 0.85 HTR2A (0.41) CHEK1CCNA2CDK2CCNA1HTR2A
Hydrochloric Acid SCHEMBL9054801 0.84 HTR2A (0.40) CHEK1CCNA2CDK2CCNA1HTR2A
SCHEMBL15587858 0.81 MAP4K4 (0.41) HTR2A
SCHEMBL440391 0.78 L3MBTL1 (0.43)
SCHEMBL2600249 0.76 HTR2A (0.40) CHEK1CCNA2CDK2CCNA1HTR2A
Hydrochloric Acid SCHEMBL3131727 0.75 CHRM1 (0.46) HTR2A
Hydrochloric Acid SCHEMBL3131740 0.75 CHRM1 (0.46) HTR2A
Hydrochloric Acid SCHEMBL4521825 0.75 HTR2A (0.39) CHEK1CCNA2CDK2CCNA1HTR2A
Hydrochloric Acid SCHEMBL4229174 0.75 GRM5 (0.40) CHEK1CCNA2CDK2CCNA1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 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 (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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors GRM5, GRIK5, GRM2 CHEK1 4548/4885CCNA2 3516/4885CDK2 1407/4885

“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.