SCHEMBL5728155

SCHEMBL5728155

O=C1Nc2cc(F)ccc2/C1=C/c1ccco1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 4/20 0.68
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
PDGFRB P09619 3/20 0.59
GSK3B P49841 2/20 0.56
TDP1 Q9NUW8 2/20 0.54
TGM2 P21980 1/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
CACNA1B Q00975 2/20 0.52
APBA1 Q02410 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
BLM P54132 1/20 0.52
PPP1CA P62136 1/20 0.52
MDM2 Q00987 1/20 0.52
PKM P14618 1/20 0.50
APOBEC3A P31941 1/20 0.50
RECQL P46063 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50

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
SCHEMBL5728158 1.00 RPS6KA3 (0.68) RPS6KA3ALDH1A1MAPTPDGFRBGSK3B
SCHEMBL29638294 0.89 RPS6KA3 (0.72) RPS6KA3ALDH1A1MAPTGSK3BTDP1
SCHEMBL14660144 0.84 RPS6KA3 (0.81) RPS6KA3ALDH1A1MAPTGSK3BTDP1
SCHEMBL14660146 0.84 RPS6KA3 (0.81) RPS6KA3ALDH1A1MAPTGSK3BTDP1
SCHEMBL20838 0.81 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTPDGFRBGSK3B
SCHEMBL905690 0.81 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTPDGFRBGSK3B
SCHEMBL20839 0.81 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTPDGFRBGSK3B
SCHEMBL249295 0.77 PDGFRB (0.69) PDGFRBTGM2MDM2KDR
SCHEMBL249294 0.77 PDGFRB (0.69) PDGFRBTGM2MDM2KDR
SCHEMBL14674887 0.77 PDGFRB (0.77) PDGFRBTGM2MDM2KDR

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 RPS6KA3 262/4885ALDH1A1 60/4885MAPT 1759/4885

“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.