SCHEMBL716288

SCHEMBL716288

CC(NC(=O)OC(C)(C)C)c1cc2cccc(Cl)c2nc1N1CCN(CC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.40
DRD3 P35462 1/20 0.40
TNF P01375 1/20 0.38
MEN1 O00255 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDR P35968 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR1 P25103 2/20 0.34
FAAH O00519 1/20 0.34
MC4R P32245 1/20 0.34
GNRHR P30968 1/20 0.34

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
SCHEMBL15875821 0.81 TNF (0.38) DRD2DRD3TNFMEN1GFER
Hydrochloric Acid SCHEMBL715771 0.81 TNF (0.37) DRD2DRD3TNFMEN1GFER
SCHEMBL717420 0.80 PIK3CD (0.44) MEN1GFERKMT2AKDRSMN1; SMN2
SCHEMBL16666212 0.79 SUV39H2 (0.41) DRD2DRD3
SCHEMBL16666211 0.79 SUV39H2 (0.41) DRD2DRD3
SCHEMBL16666213 0.79 SUV39H2 (0.41) DRD2DRD3
SCHEMBL21445289 0.78 TP53 (0.42) MEN1KMT2ATP53SMN1; SMN2
SCHEMBL722794 0.78 TSHR (0.46) SMN1; SMN2
SCHEMBL718468 0.78 PIK3R2 (0.40) TNFKDRSMN1; SMN2
SCHEMBL17530866 0.78 TNF (0.40) TNFCNR1CNR2KDR

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
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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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 (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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 DRD2 2614/4885DRD3 2337/4885TNF 574/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA DRD2 3537/4885DRD3 2871/4885TNF 702/4885

“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.