SCHEMBL962070

SCHEMBL962070

CCOC(=O)c1nn(Cc2ccc(C#N)cc2)c2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.51
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
SLC2A1 P11166 5/20 0.43
SLC2A3 P11169 5/20 0.43
SLC2A4 P14672 5/20 0.43
HTT P42858 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
SLC2A2 P11168 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
PTGER4 P35408 1/20 0.40
PDE4A P27815 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
SCHEMBL961365 0.85 ELANE (0.68) ELANEMAPTTDP1LMNATSHR
SCHEMBL958978 0.85 MCL1 (0.49) TSHRMCL1SLC2A1SLC2A3SLC2A4
SCHEMBL961246 0.83 CPT1A (0.58) ELANEMAPTMCL1KDM4EPKM
SCHEMBL959635 0.78 ELANE (0.54) ELANEMAPTLMNASMN1; SMN2KDM4E
SCHEMBL961017 0.78 ELANE (0.46) ELANEMAPTTDP1LMNATSHR
SCHEMBL961733 0.76 MEN1 (0.50) ELANETSHRMCL1KDM4E
SCHEMBL12885227 0.76 CNR1 (0.54) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3
SCHEMBL1218593 0.76 CNR1 (0.54) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3
SCHEMBL13885818 0.74 ELANE (0.56) ELANEF2RL3PTGER4
SCHEMBL7234307 0.74 MAPT (0.56) ELANEMAPTTDP1LMNATSHR

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-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 ELANE 1677/4885MAPT 1763/4885TDP1 670/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 ELANE 1677/4885MAPT 1763/4885TDP1 670/4885

“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.