SCHEMBL4293791

SCHEMBL4293791

O=C(Nc1cccc(F)c1)c1cc([N+](=O)[O-])n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.48
▸ MEN1 O00255 9/20 0.46
▸ KMT2A Q03164 9/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KCNK3 O14649 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4291228 0.79 NPC1 (0.56) NPC1RAB9AHPGDTSHRMEN1
SCHEMBL4290678 0.79 PLA2G7 (0.46) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL29536477 0.76 MEN1 (0.52) NPC1RAB9AHPGDTSHRMEN1
SCHEMBL23500812 0.76 MEN1 (0.52) NPC1RAB9AHPGDTSHRMEN1
SCHEMBL18941246 0.75 NPC1 (0.66) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL1520368 0.73 ALOX15 (0.56) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL28619259 0.73 RAB9A (0.57) NPC1RAB9AHPGDTSHRMEN1
SCHEMBL13387620 0.71 SMN1; SMN2 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5225415 0.71 MEN1 (0.70) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL2567642 0.71 MEN1 (0.77) NPC1RAB9AHPGDMEN1KMT2A

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-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 — — EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 — — US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 — — US disclosed
CN-1620296-A Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-05-25 — — CN disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 — — US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 — — EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 — — 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB NPC1 1155/4885RAB9A 1736/4885HPGD 2679/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB NPC1 1004/4885RAB9A 1683/4885HPGD 3178/4885

“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.

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