SCHEMBL5023786

SCHEMBL5023786

Nc1ncc(C(O)C(=O)Nc2ccc(F)c(F)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EIF2AK3 Q9NZJ5 5/20 0.40
EIF2S1 P05198 3/20 0.40
NAMPT P43490 1/20 0.39
ROCK2 O75116 1/20 0.39
TEK Q02763 2/20 0.38
BLM P54132 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5025177 0.84 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2EIF2AK3MEN1
SCHEMBL5027676 0.81 L3MBTL1 (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5023839 0.77 CDK2 (0.39) NPC1RAB9ASMN1; SMN2EIF2AK3EIF2S1
SCHEMBL5025176 0.73 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2NAMPTMAPT
SCHEMBL5023842 0.71 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NAMPTTEK
SCHEMBL5023845 0.71 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NAMPTTEK
SCHEMBL29521770 0.70 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ROCK2MAPT
SCHEMBL370922 0.69 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4255118 0.68 GRM8 (0.51) SMN1; SMN2BLMMAPTGAAKMT2A
SCHEMBL2608928 0.67 KDM4E (0.58) NPC1RAB9ASMN1; SMN2MAPTMEN1

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-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 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 (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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC NPC1 2593/4885RAB9A 2905/4885SMN1; SMN2 3417/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB NPC1 1551/4885RAB9A 1702/4885SMN1; SMN2 3412/4885

“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.