SCHEMBL3226370

SCHEMBL3226370

CCN1CCN(C(=O)c2cccc(C(N)=O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
PARP1 P09874 2/20 0.49
HRH4 Q9H3N8 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL6688045 0.95 PARP1 (0.54) LMNATSHRMAPK1SMN1; SMN2MEN1
SCHEMBL14786240 0.87 ALDH1A1 (0.62) LMNATSHRMAPK1SMN1; SMN2MEN1
SCHEMBL14595391 0.87 LMNA (0.62) LMNATSHRMAPK1SMN1; SMN2MEN1
Benzamide SCHEMBL10722500 0.87 BLM (0.60) LMNAMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2377015 0.85 CA12 (0.59) LMNATSHRMAPK1SMN1; SMN2MEN1
SCHEMBL3226386 0.84 ALDH1A1 (0.56) LMNAMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL6927393 0.84 PARP1 (0.56) LMNATSHRMAPK1SMN1; SMN2MEN1
SCHEMBL13246374 0.84 HPGD (0.68) LMNATSHRMAPK1SMN1; SMN2MEN1
SCHEMBL3226822 0.83 HPGD (0.59) LMNATSHRMAPK1SMN1; SMN2MEN1
SCHEMBL12333479 0.82 MEN1 (0.61) LMNATSHRMAPK1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 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 (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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 LMNA 4407/4885TSHR 3412/4885MAPK1 52/4885

“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.