SCHEMBL5728239

SCHEMBL5728239

Cn1cccc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.65
PARP1 P09874 1/20 0.56
PARP2 Q9UGN5 1/20 0.56
NTRK1 P04629 2/20 0.50
MAPT P10636 8/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
RECQL P46063 6/20 0.45
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 3/20 0.44
BLM P54132 2/20 0.43
PKM P14618 1/20 0.43
DNMT1 P26358 1/20 0.43
MMP14 P50281 1/20 0.43
AURKB Q96GD4 2/20 0.41
GPR55 Q9Y2T6 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
SCHEMBL5728241 1.00 KDR (0.65) KDRPARP1PARP2NTRK1MAPT
SCHEMBL5727591 0.83 KDR (0.71) KDRPARP1PARP2NTRK1MAPT
SCHEMBL14659706 0.81 KDR (0.70) KDRPARP1PARP2MAPTNPSR1
SCHEMBL21466 0.79 KDR (1.00) KDRPARP1PARP2NTRK1MAPT
SCHEMBL21465 0.79 KDR (1.00) KDRPARP1PARP2NTRK1MAPT
SCHEMBL249078 0.77 LRRK2 (0.53) KDRMAPTNPSR1NPC1LMNA
SCHEMBL249079 0.77 LRRK2 (0.53) KDRMAPTNPSR1NPC1LMNA
SCHEMBL5368431 0.77 MOGAT2 (0.55) KDRPARP1PARP2NTRK1MAPT
SCHEMBL5728097 0.76 KDR (0.61) KDRPARP1PARP2MAPTNPSR1
SCHEMBL5990067 0.74 KDR (0.70) KDRPARP1PARP2NTRK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP claimed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO claimed
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 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.