SCHEMBL12410480

SCHEMBL12410480

Cc1cc2c(=O)nc[nH]c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.38
PARP1 P09874 5/20 0.36
CHEK1 O14757 2/20 0.36
PIM1 P11309 2/20 0.36
RPS6KA3 P51812 1/20 0.36
IP6K1 Q92551 1/20 0.33
CA1 P00915 1/20 0.33
AKT1 P31749 1/20 0.33
FLT3 P36888 1/20 0.33
PIM3 Q86V86 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LPO P22079 1/20 0.31
PTGS1 P23219 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL13627444 0.77 PARP1 (0.36) PARP1CHEK1PIM1IP6K1AKT1
SCHEMBL5765110 0.77 PARP1 (0.37) ADORA1PARP1CHEK1PIM1RPS6KA3
SCHEMBL22283252 0.71 PDE3B (0.46) ADORA1PARP1CHEK1PIM1RPS6KA3
SCHEMBL24629146 0.68 CYP3A4 (0.42) ADORA1PARP1GAACYP1A2MAPT
SCHEMBL11154028 0.68
SCHEMBL12410487 0.67 LMNA (0.50) CHEK1LMNAHPGDGAACYP1A2
SCHEMBL22962863 0.67 PARP1 (0.41) PARP1CHEK1PIM1RPS6KA3AKT1
SCHEMBL15707647 0.65 GSK3B (0.41) PARP1CHEK1PIM1RPS6KA3AKT1
SCHEMBL27271781 0.65 PDPK1 (0.37) ADORA1PARP1CHEK1PIM1RPS6KA3
SCHEMBL26109002 0.65 EGFR (0.41) KDM4EALDH1A1

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
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 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 (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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 ADORA1 534/4885PARP1 2176/4885CHEK1 2637/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 ADORA1 575/4885PARP1 2160/4885CHEK1 2899/4885

“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.