Sugi Predict

Sugi Predict / Compounds / SCHEMBL13987193

SCHEMBL13987193

SCHEMBL13987193

COC(=O)c1cc(NC(=O)C2C[C@H]2c2ccccc2)cc2[nH]c(-c3cccc(CN4CCCC4)c3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.48
▸ SIGMAR1 Q99720 3/20 0.41
▸ AURKA O14965 3/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ DGAT2 Q96PD7 5/20 0.39
▸ MGAT2 Q10469 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL4780396 1.00 ACKR3 (0.48) ACKR3SIGMAR1AURKAAURKBDGAT2
SCHEMBL4780394 1.00 ACKR3 (0.48) ACKR3SIGMAR1AURKAAURKBDGAT2
SCHEMBL4779402 0.89 DGAT2 (0.42) ACKR3AURKADGAT2MGAT2PTGDR2
SCHEMBL13987178 0.89 DGAT2 (0.42) ACKR3AURKADGAT2MGAT2PTGDR2
SCHEMBL4779397 0.89 DGAT2 (0.42) ACKR3AURKADGAT2MGAT2PTGDR2
SCHEMBL13987163 0.86 DEGS1 (0.46) AURKADGAT2MGAT2ALDH1A1MAPT
SCHEMBL6445523 0.86 DEGS1 (0.46) AURKADGAT2MGAT2ALDH1A1MAPT
SCHEMBL4779805 0.86 DEGS1 (0.46) AURKADGAT2MGAT2ALDH1A1MAPT
SCHEMBL4778128 0.86 DGAT2 (0.41) ACKR3AURKADGAT2MGAT2PTGDR2
SCHEMBL13987177 0.86 DGAT2 (0.41) ACKR3AURKADGAT2MGAT2PTGDR2

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
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 — — US disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 — — US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 — — US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 — — 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-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA ACKR3 1532/4885SIGMAR1 2827/4885AURKA 122/4885

“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.