SCHEMBL5764883

SCHEMBL5764883

Fc1ccc(Oc2ccccn2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.54
HSPB1 P04792 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAP4K4 O95819 1/20 0.49
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL18984674 0.85 MEN1 (0.59) KDM4EMAP4K4HTR1ASLC6A2SLC6A4
SCHEMBL30108336 0.83 MEN1 (0.54) TRPA1HSPB1L3MBTL1KDM4EMAP4K4
SCHEMBL28443118 0.83 GRM4 (0.48) L3MBTL1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL28115709 0.83 HTR1A (0.49) TRPA1L3MBTL1KDM4EHTR1ASLC6A2
SCHEMBL2427966 0.83 POLB (0.46) TRPA1HSPB1L3MBTL1KDM4ESLC6A4
SCHEMBL24741603 0.83 MEN1 (0.54) TRPA1HSPB1L3MBTL1KDM4EMAP4K4
SCHEMBL28115267 0.82 KDM4E (0.43) TRPA1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL28115716 0.81 TRPA1 (0.48) TRPA1L3MBTL1KDM4E
SCHEMBL3288850 0.80 KDM4E (0.47) TRPA1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL30689339 0.80 ALOX5AP (0.41) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
EP-2363128-A2 Indole modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2011-09-07 EP disclosed
EP-1620105-A1 (6-(PHENOXY)-PYRIDO[3,4-D]PYRIMIDIN-2-YL)-AMINE DERIVATIVES AS P38 KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY CONDITIONS SUCH AS RHEUMATOID ARTHRITIS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP disclosed
WO-2004091625-A1 (6-(PHENOXY)-PYRIDO`3,4-D! PYRIMIDIN-2-YL)-AMINE DERIVATIVES AS P38 KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORYY CONDITIONS SUCH AS RHEUMATOIS ARTRITIS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO 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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR TRPA1 4470/4885HSPB1 4668/4885L3MBTL1 3580/4885

“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.