SCHEMBL5728101

SCHEMBL5728101

O=C1Nc2ccccc2C1=Cc1cc([N+](=O)[O-])c[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
APP P05067 4/20 0.64
SNCA P37840 4/20 0.64
PDGFRB P09619 4/20 0.58
JAK3 P52333 3/20 0.58
KDR P35968 4/20 0.56
RET P07949 3/20 0.56
TLK2 Q86UE8 3/20 0.56
FLT3 P36888 2/20 0.56
CDK5 Q00535 2/20 0.56
LCK P06239 2/20 0.56
FGFR1 P11362 2/20 0.56
MAPK9 P45984 2/20 0.56
RPS6KA3 P51812 2/20 0.56
AURKB Q96GD4 2/20 0.56
AKT1 P31749 2/20 0.56
SYK P43405 1/20 0.56
ATM Q13315 1/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56

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
SCHEMBL5728098 1.00 MAPT (0.64) MAPTAPPSNCAPDGFRBJAK3
SCHEMBL5728093 0.81 TLK2 (0.61) MAPTPDGFRBJAK3KDRRET
SCHEMBL5728094 0.81 TLK2 (0.61) MAPTPDGFRBJAK3KDRRET
SCHEMBL5396502 0.79 SRC (0.56) PDGFRBJAK3KDRRETLCK
SCHEMBL8484149 0.79 APP (1.00) MAPTAPPSNCAPDGFRBKDR
SCHEMBL680846 0.79 KDR (0.61) MAPTPDGFRBJAK3KDRRET
SCHEMBL16442343 0.79 APP (1.00) MAPTAPPSNCAPDGFRBKDR
SCHEMBL8484153 0.79 APP (1.00) MAPTAPPSNCAPDGFRBKDR
SCHEMBL680845 0.79 KDR (0.61) MAPTPDGFRBJAK3KDRRET
SCHEMBL5470409 0.78 MAPT (0.74) MAPTAPPSNCAIGF1RGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 US claimed
US-7105563-B2 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP disclosed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO disclosed
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 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 (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-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer PDK3, PDK2, PDK4 MAPT 1759/4885APP 3743/4885SNCA 535/4885

“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.