SCHEMBL717045

SCHEMBL717045

CC(NC(=O)O)c1cc2cccc(Cl)c2nc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 0.40
PIK3C2B O00750 3/20 0.40
PIK3CA P42336 4/20 0.39
PIK3CD O00329 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL716164 0.90 AKT1 (0.40) PIK3CDCYP3A4CYP2C9TSHR
SCHEMBL715607 0.87 CNR2 (0.43) PIK3CDKDM4EALDH1A1
SCHEMBL713901 0.87 AKT1 (0.43) PIK3CACYP3A4CYP2C9TSHRKDM4E
SCHEMBL716975 0.85 MTOR (0.44) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL716974 0.85 MTOR (0.44) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL716476 0.85 CNR1 (0.40) CYP1A2CYP2C9TSHRCYP2C19KDM4E
SCHEMBL716682 0.84 MAPT (0.48) TSHRKDM4EALDH1A1POLB
SCHEMBL715574 0.83 STK4 (0.41) TSHRALDH1A1
SCHEMBL715103 0.83 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL715104 0.83 KDM4E (0.39) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 PIK3CB 20/4885PIK3C2B 69/4885PIK3CA 21/4885

“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.