SCHEMBL4470156

SCHEMBL4470156

Cc1[nH]c2c(F)cccc2c1CC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.73
GAA P10253 4/20 0.73
MAPT P10636 4/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
ALDH1A1 P00352 2/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
ANO1 Q5XXA6 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
AKR1C2 P52895 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
FEN1 P39748 1/20 0.41
EGFR P00533 3/20 0.41
NTRK1 P04629 1/20 0.40
POLB P06746 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL3636076 0.87 KDM4E (0.55) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL20119993 0.85 EGFR (0.54) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL6291031 0.84 MAPT (1.00) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL2002738 0.83 KDM4E (0.75) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL30854921 0.82 KDM4E (0.73) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL29255723 0.82 KDM4E (0.73) KDM4EGAAMAPTMEN1KMT2A
Oxalic Acid SCHEMBL31535593 0.81 SMN1; SMN2 (0.58) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL29255727 0.79 KDM4E (0.69) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL30854919 0.79 KDM4E (0.69) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL18029279 0.79 MAPT (0.47) KDM4EGAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688662-B2 N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-quinazolinamine and N-(2,3-dihydro-1H-indol-5-yl)-4-quinazolinamine derivatives as perk inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
US-9688662-B2 N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-quinazolinamine and N-(2,3-dihydro-1H-indol-5-yl)-4-quinazolinamine derivatives as perk inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
EP-2989091-B1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-4- QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4- QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-10 EP disclosed
WO-2014161808-A1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-B]JPYRIDIN-5-YL)-4- QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4- QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-09 WO disclosed
US-7601751-B2 Indole acetic acid acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-20070049589-A1 Indole acetic acid acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049589-A1 Indole acetic acid acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 KDM4E 2214/4885GAA 178/4885MAPT 164/4885

“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.