SCHEMBL14670969

SCHEMBL14670969

Nc1cc(CI)n2nccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
DYRK1A Q13627 1/20 0.37
CDK2 P24941 3/20 0.34
PIM1 P11309 2/20 0.34
CCNA2 P20248 2/20 0.34
CCNA1 P78396 2/20 0.34
CHEK1 O14757 1/20 0.34
PIM3 Q86V86 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KCNN3 Q9UGI6 6/20 0.33
CDK5 Q00535 2/20 0.33
KCNN1 Q92952 2/20 0.33
KCNN2 Q9H2S1 2/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 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
SCHEMBL17026690 0.76 CDK2 (0.48) PDE10ADYRK1ACDK2PIM1CCNA2
SCHEMBL1018372 0.73 PDE10A (0.67) PDE10ADYRK1ACDK2PIM1CCNA2
SCHEMBL16828091 0.73 PDE10A (0.43) PDE10ADYRK1ACDK2PIM1CCNA2
SCHEMBL13304697 0.72 CCNT1 (0.49) CDK2CCNA2CCNA1KCNN3CDK5
SCHEMBL14528858 0.71 KDM5B (0.36) PDE10ACDK2CCNE1
SCHEMBL1523747 0.66 KDM4E (0.46) PDE10ADYRK1APIM1CDK5AURKA
SCHEMBL14316241 0.66 CDK2 (0.46) PDE10ADYRK1ACDK2PIM1CCNA2
SCHEMBL14679357 0.66 PDE10A (0.61) PDE10ACDK2CCNA1KCNN3KCNN1
SCHEMBL1019447 0.65 PIM1 (0.67) PDE10ADYRK1APIM1PIM3PLK3
SCHEMBL1523598 0.63 FYN (0.45) CDK2CCNE1

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-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 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-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PDE10A 455/4885DYRK1A 1783/4885CDK2 100/4885

“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.