SCHEMBL16611625

SCHEMBL16611625

COc1nccc2c(-c3ccccc3)nn(-c3ccccc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.50
CDK2 P24941 7/20 0.50
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KHK P50053 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CDK7 P50613 1/20 0.41

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
SCHEMBL16611097 0.87 LMNA (0.41) CCNA2CDK2LMNAMAPTMEN1
SCHEMBL25301864 0.72 LMNA (0.58) LMNAMAPTMEN1KMT2APDE4A
SCHEMBL29405099 0.72 LMNA (0.58) LMNAMAPTMEN1KMT2APDE4A
SCHEMBL5005954 0.70 NPC1 (0.50) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL16611216 0.70 ADORA3 (0.55) CCNA2CDK2MAPTMEN1KMT2A
SCHEMBL16611260 0.69 PTGS2 (0.42) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL16610829 0.68 CCNA2 (0.47) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL9876903 0.68 CCNA2 (0.53) CCNA2CDK2LMNAMAPTALDH1A1
SCHEMBL5493910 0.68 PTGER1 (0.59) CCNA2CDK2LMNAMAPTMEN1
SCHEMBL5487133 0.67 PDE5A (0.54) CCNA2CDK2LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CCNA2 1165/4885CDK2 302/4885LMNA 1474/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CCNA2 1165/4885CDK2 302/4885LMNA 1474/4885

“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.