SCHEMBL1921796

SCHEMBL1921796

C#Cc1cc(Cl)ccn1.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.40
NUDT1 P36639 3/20 0.38
KMO O15229 1/20 0.36
CNR2 P34972 1/20 0.35
NOTUM Q6P988 1/20 0.35
PIM1 P11309 1/20 0.35
ALOX5 P09917 1/20 0.34
IDO1 P14902 1/20 0.34
PLK1 P53350 1/20 0.34
LRRK2 Q5S007 1/20 0.34
RORB Q92753 1/20 0.33
TDO2 P48775 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL5700591 0.89
SCHEMBL1476650 0.76 GRM5 (0.42)
SCHEMBL4231834 0.72 MYC (0.46) KMO
SCHEMBL3257645 0.70 MAP4K4 (0.36) MAP4K4KMOPLK1
SCHEMBL1642974 0.70 ESR1 (0.35) LRRK2
SCHEMBL2520704 0.70 BIRC5 (0.32)
SCHEMBL1644273 0.70 GRM4 (0.47) MAP4K4KMO
SCHEMBL14976487 0.69 MAP4K4 (0.31) MAP4K4KMO
SCHEMBL1477713 0.69 RORB (0.37) ALOX5RORB
SCHEMBL3849043 0.69 PIM1 (0.53) MAP4K4KMOPIM1IDO1PLK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
EP-2134682-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES SANOFI SA (FR) 2011-12-14 EP disclosed
US-8026375-B2 Transition metal catalyzed synthesis of N-aminoindoles SANOFI-AVENTIS (FR) 2011-09-27 US disclosed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US disclosed
US-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles SANOFI-AVENTIS (FR) 2010-07-01 US disclosed
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 EP disclosed
EP-2134682-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES Sanofi-Aventis (FR) 2009-12-23 EP disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2008125207-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES SANOFI-AVENTIS (FR) 2008-10-23 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-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles NAT1, H1-3, H1-2 MAP4K4 3181/4885NUDT1 431/4885KMO 310/4885
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles H1-3, H1-2, H1-4 MAP4K4 2379/4885NUDT1 548/4885KMO 928/4885

“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.