SCHEMBL3226312

SCHEMBL3226312

CCN1CCN(C(=O)c2ccc(C)c(C(N)=O)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPBWR1 P48145 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL6690537 0.95 HPGD (0.48) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL3234941 0.90 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL6687780 0.85 PARP1 (0.46) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL3231384 0.85 KMT2A (0.56) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL2377312 0.83 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL6687434 0.83 HPGD (0.44) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL3226386 0.81 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL6688446 0.81 PARP1 (0.46) ALDH1A1HPGDKMT2ATSHRTP53
SCHEMBL3226522 0.81 HPGD (0.68) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL2377858 0.81 GAA (0.55) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1

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 ALDH1A1 2102/4885HPGD 1383/4885SMN1; SMN2 3098/4885

“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.