SCHEMBL4691907

SCHEMBL4691907

Cc1cc2c([nH]1)c(-c1ccccc1C(F)(F)F)cc1nc(N)nc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.43
PTPN1 P18031 3/20 0.40
TRPA1 O75762 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ACP1 P24666 1/20 0.37
BACE1 P56817 1/20 0.36
C1R P00736 1/20 0.36
NPY5R Q15761 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL4691348 0.82 DHFR (0.41) DHFRPTPN1TRPA1TRPM8TRPV1
SCHEMBL4688966 0.76 ADORA2A (0.41) DHFRADORA3ADORA2AADORA1SLC2A1
SCHEMBL4687979 0.76 DHFR (0.46) DHFRPTPN1TRPA1ADORA3ADORA2A
Trifluoroacetic Acid SCHEMBL4691202 0.74 DHFR (0.39) DHFRADORA2ABACE1
SCHEMBL5503577 0.74 TRPA1 (0.49) DHFRPTPN1TRPA1TRPM8TRPV1
SCHEMBL14256006 0.72 DHFR (0.41) DHFRSLC2A1
SCHEMBL27653789 0.71 CYP1A2 (0.43) DHFRPTPN1TRPA1TRPM8TRPV1
SCHEMBL4688933 0.70 SLC2A1 (0.40) PTPN1SLC2A1
SCHEMBL4689031 0.69 DHFR (0.58) DHFRADORA2ASLC2A1
SCHEMBL28759591 0.69 PTPN1 (0.40) DHFRPTPN1TRPA1TRPM8TRPV1

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 7 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
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 DHFR 339/4885PTPN1 9/4885TRPA1 3317/4885

“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.