Sugi Predict

Sugi Predict / Compounds / SCHEMBL4524540

SCHEMBL4524540

SCHEMBL4524540

CC(C)c1ccccc1-c1ccc2c(N(C)C)nc(N)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 9/20 0.51
▸ ALOX5AP P20292 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ TRPA1 O75762 1/20 0.42
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 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
SCHEMBL4518205 0.84 DHFR (0.68) DHFRALOX5APFEN1TRPA1MAP4K4
SCHEMBL4524257 0.83 CYP1A2 (0.53) DHFRCYP1A2CYP2D6TSHRCYP2C19
SCHEMBL4526006 0.80 DHFR (0.51) DHFRALOX5APFEN1TRPA1CYP1A2
SCHEMBL4511008 0.80 DHFR (0.51) DHFRALOX5APFEN1TRPA1CA12
SCHEMBL4524134 0.79 CYP1A2 (0.57) DHFRALOX5APFEN1TRPA1CYP1A2
SCHEMBL4533694 0.77 DHFR (0.55) DHFRCYP1A2CYP2D6TSHRCYP2C19
SCHEMBL4522332 0.75 HRH4 (0.55) DHFRCYP1A2CYP2D6TSHRCYP2C19
Trifluoroacetic Acid SCHEMBL4523782 0.74 CYP2D6 (0.44) DHFRCYP1A2CYP2D6TSHRCYP2C19
Trifluoroacetic Acid SCHEMBL4527702 0.73 CYP2D6 (0.51) DHFRALOX5APFEN1TRPA1CYP1A2
SCHEMBL4510933 0.73 HRH4 (0.42) DHFRALOX5APFEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 — — US claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 — — EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 — — US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 — — 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 (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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885ALOX5AP 3709/4885FEN1 3010/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885ALOX5AP 3709/4885FEN1 3010/4885

“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.