SCHEMBL16019016

SCHEMBL16019016

CC(C)n1cnc2c1CCN2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
CDC7 O00311 2/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL22650902 0.68 SIGMAR1 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL15723732 0.65 PDE3B (0.33) MEN1ALDH1A1KMT2AADORA2AADORA1
SCHEMBL15141888 0.64 MAPK14 (0.34) MEN1ALDH1A1KMT2AADORA2AADORA1
SCHEMBL14882482 0.63 JAK2 (0.33) MEN1ALDH1A1KMT2AADORA2AADORA1
SCHEMBL26248992 0.61 MAPK13 (0.32)
SCHEMBL24817958 0.61 CDK4 (0.35) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL20793348 0.61 HRH3 (0.33) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12913534 0.61 JAK2 (0.40) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL25686847 0.61 PIK3R1 (0.35) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL17380063 0.59 ADORA2A (0.32) MEN1ALDH1A1KMT2AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 PKN1 4407/4885PKN2 3108/4885CDC7 1135/4885

“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.