SCHEMBL1921689

SCHEMBL1921689

O=C(O)c1ccc2nn(-c3ccccc3)c(Cc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.48
IP6K3 Q96PC2 2/20 0.48
IP6K2 Q9UHH9 2/20 0.48
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK8 P49336 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
FGFR1 P11362 2/20 0.43
KDM5A P29375 2/20 0.41
KDM2B Q8NHM5 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
RARG P13631 4/20 0.40
RORC P51449 4/20 0.40
HCAR3 P49019 1/20 0.40

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
SCHEMBL1921363 0.90 CHEK1 (0.50) IP6K1IP6K3IP6K2CHEK1AURKA
SCHEMBL1920962 0.83 CHEK1 (0.43) IP6K1IP6K3IP6K2CHEK1AURKA
SCHEMBL13984695 0.82 NPC1 (0.44) FGFR1ALDH1A1TP53
SCHEMBL1921731 0.81 PLA2G2A (0.40) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1921321 0.78 MPO (0.50) HSD17B10ALDH1A1MEN1HPGDKMT2A
SCHEMBL17111959 0.78 CHEK1 (0.55) IP6K1IP6K3IP6K2CHEK1AURKA
SCHEMBL1921251 0.76 PLA2G2A (0.47) ALDH1A1TP53HPGDKMT2AHTT
SCHEMBL1921325 0.76 CCNC (0.42) CDK8ALDH1A1
SCHEMBL1920560 0.74 TLR7 (0.42) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL13984697 0.72 ESR2 (0.57) HSD17B10ALDH1A1KMT2AHTT

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 17 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 claimed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP claimed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US claimed
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 EP claimed
CN-101687809-A Transition metal catalyzed synthesis of 2H-indazoles SANOFI AVENTIS 2010-03-31 CN claimed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO claimed
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP 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-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US disclosed
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 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 (1 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-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles H1-3, H1-2, H1-4 IP6K1 1207/4885IP6K3 807/4885IP6K2 768/4885

“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.