SCHEMBL5728097

SCHEMBL5728097

Cn1cccc1C=C1C(=O)Nc2ccc(-c3ccc(C(C)(C)C)cc3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.61
PARP1 P09874 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
LRRK2 Q5S007 1/20 0.43
RAF1 P04049 1/20 0.43
MAPT P10636 9/20 0.42
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
CYP1A2 P05177 1/20 0.42
NPSR1 Q6W5P4 4/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
RECQL P46063 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RET P07949 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL5728667 0.84 KDR (0.61) KDRPARP1PARP2LRRK2MAPT
SCHEMBL6856261 0.79 KDR (0.70) KDRPARP1PARP2MAPTKMT2A
SCHEMBL6856270 0.79 KDR (0.70) KDRPARP1PARP2MAPTKMT2A
SCHEMBL21466 0.77 KDR (1.00) KDRPARP1PARP2LRRK2MAPT
SCHEMBL21465 0.77 KDR (1.00) KDRPARP1PARP2LRRK2MAPT
SCHEMBL5728241 0.76 KDR (0.65) KDRPARP1PARP2LRRK2MAPT
SCHEMBL5728239 0.76 KDR (0.65) KDRPARP1PARP2LRRK2MAPT
SCHEMBL5361124 0.75 KDR (0.64) KDRPARP1PARP2LRRK2MAPT
SCHEMBL5358203 0.73 KDR (0.61) KDRPARP1PARP2
SCHEMBL5727591 0.72 KDR (0.71) KDRPARP1PARP2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDR 2521/4885PARP1 355/4885PARP2 780/4885

“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.