SCHEMBL4649334

SCHEMBL4649334

COc1cc2ccn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.45
EGFR P00533 1/20 0.42
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRM1 Q13255 2/20 0.39
HTT P42858 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 2/20 0.37
HSPB1 P04792 1/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 3/20 0.37
KMT2A Q03164 3/20 0.37
PLEC Q15149 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4646264 0.83 ESR2 (0.36) PTK2MAPTSMN1; SMN2PTGS2HSPB1
SCHEMBL4648405 0.82 POLB (0.39) MAPTSMN1; SMN2HTTPTGS2MEN1
SCHEMBL4648585 0.81 NPC1 (0.38) PTK2MAPTSMN1; SMN2GRM1MEN1
SCHEMBL1548432 0.80 HTT (0.46) PTK2MAPTSMN1; SMN2HTTTDP1
SCHEMBL4646197 0.75 ALDH1A1 (0.47) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL4646690 0.75 ALDH1A1 (0.40) PTK2MAPTSMN1; SMN2HTTMEN1
SCHEMBL1548441 0.73 MAPT (0.44) MAPTSMN1; SMN2HTTTDP1MEN1
SCHEMBL1548530 0.73 LMNA (0.42) MAPTSMN1; SMN2HTTTDP1MEN1
SCHEMBL1547611 0.72 MEN1 (0.44) PTK2MAPTHTTTDP1CYP19A1
SCHEMBL9920084 0.72 MEN1 (0.55) MAPTHTTTDP1MEN1POLB

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-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 EP disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R PTK2 88/4885EGFR 4847/4885MAPT 4564/4885

“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.