SCHEMBL3670291

SCHEMBL3670291

CCC(c1cccc(OC)c1)n1cnc2c(NC3CC3)nc(C(F)(F)F)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.45
CCNA2 P20248 4/20 0.45
CCNE2 O96020 4/20 0.45
CCNE1 P24864 4/20 0.45
CCNA1 P78396 3/20 0.45
CDK1 P06493 8/20 0.44
CDK9 P50750 3/20 0.41
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNT2 O60583 1/20 0.38
ADORA2A P29274 1/20 0.37
YTHDC1 Q96MU7 1/20 0.37
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL3146233 0.80 XDH (0.46) CDK2CCNA2CCNE2CCNE1CCNA1
SCHEMBL3137209 0.79 YTHDC1 (0.57) CDK2CCNE1CDK1ADORA2AYTHDC1
SCHEMBL3140417 0.77 PDE4A (0.57) CDK2CCNE1CDK1YTHDC1PDE5A
SCHEMBL3137544 0.77 CDK2 (0.53) CDK2CCNA2CCNE2CCNE1CCNA1
SCHEMBL3670288 0.76 PDE4A (0.51) CDK2CCNE1CDK1YTHDC1PDE5A
SCHEMBL3130740 0.75 CDK2 (0.56) CDK2CCNA2CCNE2CCNE1CCNA1
SCHEMBL3145548 0.75 PDE4A (0.41) CDK2CCNE1CDK1ADORA2AYTHDC1
SCHEMBL3132183 0.75 CDK2 (0.48) CDK2CCNA2CCNE2CCNE1CCNA1
SCHEMBL3146103 0.75 YTHDC1 (0.40) CDK1YTHDC1PDE5APDE4APDE1A
SCHEMBL3142223 0.73 CRHR1 (0.44) CDK2CCNE1CDK1ADORA2APDE4A

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-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 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-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CDK2 853/4885CCNA2 2945/4885CCNE2 2815/4885

“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.