SCHEMBL1622775

SCHEMBL1622775

O=C(O)NC1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1CC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HCRTR1 O43613 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
CASR P41180 2/20 0.37
CHEK2 O96017 4/20 0.36
HIF1A Q16665 2/20 0.36
SMAD3 P84022 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHEK1 O14757 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ACKR3 P25106 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 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
SCHEMBL1624307 0.88 MAPT (0.45) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL5500407 0.81 CHEK2 (0.42) MAPTMEN1KMT2AALDH1A1CASR
SCHEMBL1622823 0.79 CHEK2 (0.38) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL1624929 0.79 CHEK2 (0.42) MAPTMEN1KMT2ALMNACASR
Hydrochloric Acid SCHEMBL1624765 0.79 CHEK2 (0.38) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL12721492 0.76 MEN1 (0.43) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL12723274 0.76 MEN1 (0.43) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL1623478 0.76 MEN1 (0.44) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL1622768 0.75 CHEK2 (0.52) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL1622771 0.75 CHEK2 (0.52) MAPTMEN1KMT2AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 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-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 MAPT 2508/4885MEN1 2548/4885KMT2A 2404/4885

“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.