SCHEMBL4290678

SCHEMBL4290678

O=C(Nc1cccc(F)c1F)c1cc([N+](=O)[O-])n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 2/20 0.46
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ RORC P51449 1/20 0.40
▸ MAPT P10636 7/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ RAB9A P51151 7/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ SNCA P37840 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL4293742 0.80 PLA2G7 (0.49) PLA2G7KMT2AMEN1MAPTRAB9A
SCHEMBL4293791 0.79 NPC1 (0.51) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL13148139 0.74 CSF1R (0.66) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL1520368 0.72 ALOX15 (0.56) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL13387620 0.70 SMN1; SMN2 (0.44) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL19101944 0.69 DYRK1A (0.38) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL13256448 0.68 CCNA2 (0.53) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL1520470 0.68 HPGD (0.53) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL18147200 0.68 RORC (0.82) KMT2AMEN1RORCMAPTSMN1; SMN2
SCHEMBL6762655 0.68 RAB9A (0.68) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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 6 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
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 PLA2G7 2039/4885KMT2A 721/4885MEN1 1579/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB PLA2G7 1805/4885KMT2A 829/4885MEN1 1372/4885

“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.

Send feedback