SCHEMBL15317599

SCHEMBL15317599

COC(=O)Cc1nc(Cl)cc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.41
USP2 O75604 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28989534 0.90 HSP90AB1 (0.44) ALDH1A1KDM4ESMN1; SMN2USP2HSP90AB1
SCHEMBL8686002 0.90 CYP1A2 (0.50) ALDH1A1KDM4ESMN1; SMN2CYP1A2USP2
SCHEMBL12475943 0.86 SMN1; SMN2 (0.48) ALDH1A1KDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL9461180 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2CYP1A2TAS1R3
SCHEMBL9461045 0.83 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2CYP1A2USP2
SCHEMBL30903008 0.82 HSP90AB1 (0.50) ALDH1A1KDM4ESMN1; SMN2CYP1A2USP2
SCHEMBL10828626 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2CYP1A2USP2
SCHEMBL24046193 0.79 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2CYP1A2TAS1R3
SCHEMBL13230223 0.78 SMN1; SMN2 (0.41) ALDH1A1KDM4ESMN1; SMN2CYP1A2HSP90AB1
SCHEMBL10828486 0.77 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2CYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 US disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 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-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS TYMP, PIK3CA, PDPK1 ALDH1A1 3350/4885KDM4E 2726/4885SMN1; SMN2 3529/4885

“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.