SCHEMBL4690334

SCHEMBL4690334

Nc1nc(N)c2c(cc(-c3ccc(Cl)cc3Cl)c3[nH]ccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
DHFR P00374 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP4 P27487 1/20 0.36
GUSB P08236 1/20 0.36
PTPN1 P18031 1/20 0.36
PIK3CG P48736 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL4691554 0.90 HTR2B (0.43) DHFRSMN1; SMN2PTPN1PIK3CGMAP4K4
Trifluoroacetic Acid SCHEMBL4687679 0.90 DYRK1A (0.37) HSP90AA1HSP90AB1DPP4GUSBMAP4K4
SCHEMBL4690991 0.86 DHFR (0.43) HSP90AA1HSP90AB1DHFR
SCHEMBL4692351 0.83 DHFR (0.46) DHFRSMN1; SMN2
SCHEMBL4689104 0.82 MAP4K4 (0.39) DHFRMAP4K4
SCHEMBL4689031 0.78 DHFR (0.58) DHFR
Trifluoroacetic Acid SCHEMBL5382553 0.77 IKBKB (0.38) HSP90AA1HSP90AB1DHFRGUSBMAP4K4
SCHEMBL4689002 0.77 DHFR (0.37) DHFRSMN1; SMN2
SCHEMBL4691056 0.77 DHFR (0.48) DHFR
Trifluoroacetic Acid SCHEMBL4688579 0.75 DHFR (0.39) DHFRSMN1; SMN2

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 6 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
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
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

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 HSP90AA1 2234/4885HSP90AB1 2444/4885DHFR 339/4885

“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.