SCHEMBL4293742

SCHEMBL4293742

Nc1cc(C(=O)Nc2cccc(F)c2F)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 2/20 0.49
▸ RAB9A P51151 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HDAC1 Q13547 5/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ACR P10323 3/20 0.39
▸ ALPL P05186 2/20 0.39
▸ KDR P35968 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ TP53 P04637 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
SCHEMBL4290678 0.80 PLA2G7 (0.46) PLA2G7RAB9AMEN1KMT2ANPC1
SCHEMBL3178922 0.78 AKT1 (0.44) RAB9AMAPTLMNAKDR
SCHEMBL29536398 0.78 AKT1 (0.44) RAB9AMAPTLMNAKDR
SCHEMBL4291228 0.77 NPC1 (0.56) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL23513527 0.74 NPC1 (0.55) RAB9AMEN1KMT2AHDAC1NPC1
SCHEMBL6762655 0.71 RAB9A (0.68) RAB9AMEN1KMT2AHDAC1NPC1
SCHEMBL984242 0.69 ATR (0.56) MAPTTP53
SCHEMBL6185781 0.69 RAB9A (0.53) PLA2G7RAB9AMEN1KMT2ANPC1
SCHEMBL985872 0.69 PRKCI (0.57) RAB9AMEN1KMT2AHDAC1NPC1
SCHEMBL3844821 0.69 HDAC1 (0.67) HDAC1MAPTACRHDAC3MAPK1

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 2039/4885RAB9A 1736/4885MEN1 1579/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB PLA2G7 1805/4885RAB9A 1683/4885MEN1 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.

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