SCHEMBL7240703

SCHEMBL7240703

CCC(CO)Nc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.49
LATS2 Q9NRM7 1/20 0.49
CDK2 P24941 4/20 0.47
CCNA2 P20248 3/20 0.47
CDK5 Q00535 3/20 0.47
DYRK1A Q13627 3/20 0.47
CDK5R1 Q15078 3/20 0.47
CCNA1 P78396 2/20 0.47
FYN P06241 2/20 0.43
KCNH3 Q9ULD8 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
MAPK1 P28482 1/20 0.40
CDK7 P50613 1/20 0.40

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
SCHEMBL20362192 0.80 KCNH3 (0.54) KCNH3LMNASMN1; SMN2MAPK1TDP1
SCHEMBL2937099 0.80 KCNH3 (0.54) KCNH3LMNASMN1; SMN2MAPK1TDP1
SCHEMBL27484229 0.78 KCNH3 (0.52) KCNH3LMNASMN1; SMN2CDK7TDP1
SCHEMBL17604111 0.77 HTT (0.47) CDK2CCNA2CDK5DYRK1ACDK5R1
SCHEMBL6671578 0.77 FYN (0.52) CDK2CCNA2CDK5DYRK1ACDK5R1
SCHEMBL459453 0.77 FYN (0.52) CDK2CCNA2CDK5DYRK1ACDK5R1
SCHEMBL5424944 0.77 CCNT1 (0.50) CDK2CCNA2CDK5DYRK1ACDK5R1
SCHEMBL5359412 0.77 CCNT1 (0.50) CDK2CCNA2CDK5DYRK1ACDK5R1
SCHEMBL7241204 0.76 ALDH1A1 (0.45) CDK2CCNA2CDK5DYRK1ACDK5R1
SCHEMBL7241211 0.76 ALDH1A1 (0.45) CDK2CCNA2CDK5DYRK1ACDK5R1

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-6670381-B2 (pyridin-4-ylamino)-alkoxy)-benzamide derivatives SMITHKLINE BEECHAM CORPORATION 2003-12-30 US disclosed
US-20020169189-A1 Benzamide derivatives as thrombin inhibitors KELLY HENRY ANDERSON (GB) 2002-11-14 US disclosed
US-6441008-B1 ANTICOAGULANTS SMITHKLINE BEECHAM CORPORATION 2002-08-27 US disclosed
EP-1117644-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2001-07-25 EP disclosed
WO-2000020394-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-04-13 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 (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-20020169189-A1 Benzamide derivatives as thrombin inhibitors TFPI, TFPI2, F3 LATS1 4546/4885LATS2 4621/4885CDK2 245/4885

“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.