SCHEMBL4689075

SCHEMBL4689075

Cn1ccc2c3c(N)nc(N)nc3cc(-c3ccc(F)c(Cl)c3)c21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.45
EPHB4 P54760 3/20 0.38
F2R P25116 2/20 0.37
FYN P06241 1/20 0.36
SLC2A1 P11166 4/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAP4K4 O95819 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
Trifluoroacetic Acid SCHEMBL4692099 0.92 DHFR (0.39) DHFREPHB4F2RFYNSLC2A1
SCHEMBL4688857 0.90 DHFR (0.48) DHFRF2RSLC2A1
SCHEMBL4691145 0.88 DHFR (0.50) DHFRF2RSLC2A1MAP4K4
SCHEMBL4689696 0.85 DHFR (0.50) DHFRF2RSLC2A1ADORA2A
SCHEMBL4688000 0.85 DHFR (0.50) DHFRF2RSLC2A1MAP4K4
SCHEMBL4689899 0.84 MAP4K4 (0.49) DHFRSLC2A1MAP4K4
Trifluoroacetic Acid SCHEMBL4688622 0.83 DHFR (0.40) DHFRF2RSLC2A1
SCHEMBL4692219 0.82 DHFR (0.47) DHFRSLC2A1ADORA2AMAP4K4
SCHEMBL4688392 0.82 DHFR (0.51) DHFRF2RSLC2A1ADORA2A
SCHEMBL4691472 0.81 DHFR (0.48) DHFRF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
CN-100344629-C Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2007-10-24 CN disclosed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US disclosed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US disclosed
CN-1791603-A Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN 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-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885EPHB4 2647/4885F2R 3648/4885

“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.