SCHEMBL4511450

SCHEMBL4511450

CNc1nc(N)nc2cc(-c3cc(Cl)ccc3Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.62
HTR2B P41595 1/20 0.46
PDE4D Q08499 1/20 0.46
MAP4K4 O95819 1/20 0.45
HRH4 Q9H3N8 1/20 0.43
HSP90AB1 P08238 1/20 0.41
NLRP3 Q96P20 2/20 0.40
AGPAT2 O15120 1/20 0.40
DHFR P00374 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAT2A P31153 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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 SCHEMBL4533732 0.89 PTPN1 (0.52) PTPN1HTR2BPDE4DMAP4K4HRH4
SCHEMBL4524950 0.86 PTPN1 (0.60) PTPN1MAP4K4HSP90AB1DHFRCYP1A2
SCHEMBL4524783 0.81 MAP4K4 (0.52) PTPN1MAP4K4HRH4HSP90AB1NLRP3
SCHEMBL4532516 0.81 PTPN1 (0.61) PTPN1MAP4K4NLRP3DHFRCYP1A2
SCHEMBL4525827 0.80 DHFR (0.55) PTPN1MAP4K4HRH4NLRP3AGPAT2
SCHEMBL4526172 0.79 PTPN1 (0.59) PTPN1MAP4K4HRH4NLRP3DHFR
SCHEMBL4511500 0.78 PTPN1 (0.44) PTPN1HTR2BMAP4K4HRH4HSP90AB1
SCHEMBL4519688 0.77 DHFR (0.52) PTPN1MAP4K4HRH4NLRP3DHFR
SCHEMBL16184186 0.77 PTPN1 (0.43) PTPN1MAP4K4HRH4CYP1A2CYP3A4
SCHEMBL4380466 0.77 PTPN1 (1.00) PTPN1HTR2BPDE4DNLRP3AGPAT2

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 PTPN1 2/4885HTR2B 972/4885PDE4D 563/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885HTR2B 972/4885PDE4D 563/4885

“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.