SCHEMBL4517751

SCHEMBL4517751

Fc1cc(F)c(N2CCCC2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
HTR2C P28335 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL9832077 0.85 RAB9A (0.46) SMN1; SMN2RAB9AMAPTALDH1A1NPC1
SCHEMBL30667436 0.76 ALDH1A1 (0.49) SMN1; SMN2RAB9AMAPTALDH1A1NPC1
SCHEMBL18876504 0.75 MAPK1 (0.40) SMN1; SMN2MAPTALDH1A1NPC1PKM
SCHEMBL31111736 0.72 MAPT (0.42) SMN1; SMN2RAB9AMAPTALDH1A1NPC1
SCHEMBL9832349 0.72 MAPT (0.44) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL29467296 0.71 PRNP (0.39) SMN1; SMN2MAPTALDH1A1CA12CA1
SCHEMBL26983354 0.71 PRNP (0.39) SMN1; SMN2MAPTALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL15329738 0.71 MEN1 (0.30) KMT2AMEN1
SCHEMBL3879922 0.71 LMNA (0.42) SMN1; SMN2RAB9AMAPTALDH1A1NPC1
SCHEMBL23535983 0.69 MAPK1 (0.36) SMN1; SMN2RAB9AMAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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 (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 SMN1; SMN2 4747/4885RAB9A 1040/4885MAPT 3752/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 SMN1; SMN2 4747/4885RAB9A 1040/4885MAPT 3752/4885

“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.