SCHEMBL4523200

SCHEMBL4523200

CCOc1cccc(-c2ccc3c(NC)nc(N)nc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.52
DHFR P00374 6/20 0.47
FGFR1 P11362 3/20 0.45
FGFR2 P21802 3/20 0.44
FGFR3 P22607 3/20 0.44
CYP3A4 P08684 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NOTUM Q6P988 1/20 0.43
NLRP3 Q96P20 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
TP53 P04637 2/20 0.41

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
Trifluoroacetic Acid SCHEMBL4524553 0.90 RXRA (0.45) MAP4K4DHFRFGFR1FGFR2FGFR3
SCHEMBL4366127 0.81 MAP4K4 (0.58) MAP4K4DHFRFGFR1FGFR2FGFR3
SCHEMBL4532712 0.81 DHFR (0.61) MAP4K4DHFRCYP3A4ALDH1A1CYP1A2
SCHEMBL4528809 0.81 DHFR (0.65) MAP4K4DHFRCYP1A2NLRP3
SCHEMBL16183443 0.80 CYP1A2 (0.58) DHFRCYP3A4USP2ALDH1A1LMNA
SCHEMBL13888550 0.80 DHFR (0.74) DHFRCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL4522624 0.78 DHFR (0.45) MAP4K4DHFRNLRP3
SCHEMBL4524726 0.77 DHFR (0.46) MAP4K4DHFRNLRP3RXRARXRB
SCHEMBL4532427 0.77 DHFR (0.46) MAP4K4DHFRLMNANLRP3BACE1
SCHEMBL4524961 0.76 PTPN1 (0.52) DHFRNLRP3

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-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

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 MAP4K4 639/4885DHFR 2071/4885FGFR1 333/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 MAP4K4 639/4885DHFR 2071/4885FGFR1 333/4885

“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.