Sugi Predict

Sugi Predict / Compounds / SCHEMBL1244580

SCHEMBL1244580

SCHEMBL1244580

O=C(O)NCC(C(=O)Nc1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ MAPT P10636 6/20 0.34
▸ PPARG P37231 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ CCNT1 O60563 3/20 0.34
▸ CDK9 P50750 3/20 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
SCHEMBL1244419 0.95 MAPT (0.37) TSHRCYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL1242174 0.90 ROCK2 (0.36) TSHRCYP1A2CYP2D6MAPK1CYP3A4
Trifluoroacetic Acid SCHEMBL1244723 0.87 ROCK2 (0.33) TSHRCYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL1244484 0.85 NPSR1 (0.39) TSHRMAPK1CLK4MAPTPPARG
Trifluoroacetic Acid SCHEMBL1244743 0.82 NPSR1 (0.36) TSHRMAPK1CLK4MAPTPPARG
SCHEMBL1244720 0.81 ALDH1A1 (0.48) TSHRCYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL1244327 0.80 PIP4K2C (0.47) TSHRMAPTMEN1KMT2AKMO
Trifluoroacetic Acid SCHEMBL5632456 0.77 ABL1 (0.35) TSHRCYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL1244511 0.77 RET (0.41) TSHRCYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL1244704 0.77 PIP4K2C (0.47) TSHRCYP1A2CYP2D6MAPK1CYP3A4

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
US-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 — — US disclosed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 — — EP disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 — — US disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 — — EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 — — WO 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-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK TSHR 4039/4885CYP1A2 2241/4885CYP2D6 1190/4885

“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.