SCHEMBL5619987

SCHEMBL5619987

Cn1ccc2c3c(NCCOC(=O)C(F)(F)F)nc(N)nc3cc(-c3ccccc3C(F)(F)F)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.39
CYP3A4 P08684 5/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
USP2 O75604 2/20 0.38
SYK P43405 2/20 0.37
TSHR P16473 4/20 0.36
CYP2D6 P10635 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
TLR7 Q9NYK1 4/20 0.35
MEN1 O00255 1/20 0.34
GBA1 P04062 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL4707250 0.96 PTPN1 (0.38) PTPN1CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL4706831 0.91 PTPN1 (0.41) PTPN1CYP3A4CYP1A2CYP2C19CLK4
Trifluoroacetic Acid SCHEMBL5619985 0.87 PTPN1 (0.47) PTPN1CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL4705440 0.87 PTPN1 (0.52) PTPN1CYP3A4CYP1A2CYP2C19CLK4
Trifluoroacetic Acid SCHEMBL4707248 0.86 PTPN1 (0.42) PTPN1CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL4706007 0.85 PTPN1 (0.36) PTPN1CYP3A4CYP1A2CYP2C19CLK4
Trifluoroacetic Acid SCHEMBL4705990 0.85 PTPN1 (0.46) PTPN1CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL4705744 0.85 PTPN1 (0.46) PTPN1CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL4708062 0.85 GBA1 (0.43) SYKALDH1A1TLR7MEN1GBA1
SCHEMBL4706999 0.84 SYK (0.40) SYKCYP2D6TLR7MEN1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US disclosed
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-18 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-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PTPRO, PTPN18 PTPN1 10/4885CYP3A4 2879/4885CYP1A2 2844/4885

“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.