SCHEMBL17540905

SCHEMBL17540905

[2H]c1ccc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c(F)c1[2H]

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPK1 P28482 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 1/20 0.63
STAT3 P40763 1/20 0.63
CLK1 P49759 1/20 0.60
CCR5 P51681 1/20 0.59
ALDH1A1 P00352 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
IDE P14735 3/20 0.57

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
SCHEMBL17552184 0.89 MEN1 (0.69) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL9978122 0.83 SMN1; SMN2 (0.72) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL19410590 0.80 MEN1 (0.74) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL9977992 0.79 MEN1 (0.73) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL17540869 0.79 MEN1 (0.76) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL9977994 0.78 MEN1 (0.87) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL9978124 0.78 MEN1 (1.00) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL19422869 0.77 MEN1 (0.81) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL27613311 0.76 CLK1 (0.77) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL9977996 0.75 MEN1 (0.83) MEN1KMT2AMAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281611-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES EIGER BIOPHARMACEUTICALS, INC. (US) 2017-10-05 US disclosed
WO-2016032569-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES CELLADON CORPORATION (US) 2016-03-03 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-20170281611-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES ATP2A1, ATP2A3, ATP2A2 MEN1 4199/4885KMT2A 4359/4885MAPK1 3121/4885

“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.