SCHEMBL960403

SCHEMBL960403

NC(=O)n1nc(C(=O)O)c2cc(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.44
CHEK1 O14757 2/20 0.38
AURKA O14965 2/20 0.38
CSNK1A1 P48729 2/20 0.38
LIMK1 P53667 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DAPK3 O43293 1/20 0.38
GSK3A P49840 1/20 0.38
IKBKE Q14164 1/20 0.38
MAPK14 Q16539 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CDK8 P49336 1/20 0.38
NEK2 P51955 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
PLA2G2A P14555 1/20 0.35
PTGER1 P34995 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL960949 0.79 ELANE (0.62) ELANECYP3A4CYP2C9HIF1AF2
SCHEMBL3782966 0.76 KDM4E (0.49) ELANECHEK1AURKACSNK1A1LIMK1
SCHEMBL1456701 0.72 CDK5 (0.42) ELANECHEK1AURKACSNK1A1LIMK1
SCHEMBL3518728 0.70 CHEK1 (0.39) ELANECHEK1AURKACSNK1A1LIMK1
SCHEMBL2144400 0.70 ELANE (0.43) ELANECHEK1AURKACSNK1A1LIMK1
SCHEMBL12194054 0.68 ELANE (0.49) ELANEF2PLAUKLKB1CTRB1
SCHEMBL5811513 0.67 ELANE (0.51) ELANEF2PLAUKLKB1CTRB1
SCHEMBL5989502 0.67 ELANE (0.73) ELANEF2PLAU
SCHEMBL2020639 0.67 IKBKB (0.43) ELANECLK4GSK3APLAU
SCHEMBL16165667 0.67 CHEK1 (0.39) ELANECHEK1AURKACSNK1A1LIMK1

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 1677/4885CHEK1 2481/4885AURKA 4186/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 ELANE 1677/4885CHEK1 2481/4885AURKA 4186/4885

“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.