SCHEMBL2014457

SCHEMBL2014457

CC(=O)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 9/20 0.64
HSP90AA1 P07900 4/20 0.64
KDM4E B2RXH2 4/20 0.64
TDP1 Q9NUW8 4/20 0.64
KMT2A Q03164 4/20 0.64
MMP14 P50281 3/20 0.64
MEN1 O00255 3/20 0.64
LMNA P02545 3/20 0.64
MAPT P10636 3/20 0.64
HTT P42858 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
CYP3A4 P08684 3/20 0.64
ALDH1A1 P00352 2/20 0.64
TP53 P04637 2/20 0.64
ALOX15 P16050 2/20 0.64
SLC6A2 P23975 2/20 0.64
OPRK1 P41145 2/20 0.64
ALOX15B O15296 1/20 0.64
NR1I2 O75469 1/20 0.64
HTR1A P08908 1/20 0.64

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
SCHEMBL11694168 0.88 KDM4E (0.64) ALOX12HSP90AA1KDM4ETDP1KMT2A
SCHEMBL4061248 0.86 KDM4E (0.66) ALOX12HSP90AA1KDM4ETDP1KMT2A
Chloroxine SCHEMBL4459987 0.83 ALOX12 (0.81) ALOX12HSP90AA1KDM4ETDP1KMT2A
SCHEMBL2013978 0.83 HTT (0.50) ALOX12HSP90AA1KDM4ETDP1KMT2A
SCHEMBL2015831 0.82 L3MBTL1 (0.60) ALOX12HSP90AA1KDM4ETDP1KMT2A
SCHEMBL2014967 0.80 KMT2A (0.54) ALOX12HSP90AA1KDM4ETDP1KMT2A
SCHEMBL7694852 0.80 HTT (0.54) ALOX12HSP90AA1KDM4ETDP1KMT2A
Chloroxine SCHEMBL29399997 0.79 KDM4E (1.00) ALOX12HSP90AA1KDM4ETDP1KMT2A
Chloroxine SCHEMBL3350 0.79 KDM4E (1.00) ALOX12HSP90AA1KDM4ETDP1KMT2A
Chloroxine SCHEMBL29389908 0.79 KDM4E (1.00) ALOX12HSP90AA1KDM4ETDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed
EP-0362771-B1 Use of photochromic substances RODENSTOCK OPTIK G (DE) 2000-05-31 EP disclosed
US-5637709-A Photochromatic substances OPTISCHE WERKE G. RODENSTOCK (DE) 1997-06-10 US disclosed
US-5608065-A ADAMANTANEOSPIRO-HETEROAROMATIC PYRANS OPTISCHE WERKE G. RODENSTOCK (DE) 1997-03-04 US disclosed
EP-0362771-A1 Photochromic substances Optische Werke G. Rodenstock (DE) 1990-04-11 EP disclosed
WO-1990003379-A1 PHOTOCHROMIC SUBSTANCES OPTISCHE WERKE G. RODENSTOCK (DE) 1990-04-05 WO disclosed
EP-0014079-B1 SPIRO-QUINOLYLHYDANTOINS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1981-11-18 EP disclosed
EP-0014079-A1 Spiro-quinolylhydantoins, process for their preparation and pharmaceutical compositions thereof PFIZER INC. (US) 1980-08-06 EP disclosed
US-4176185-A ALDOSE REDUCTASE ENZYME INHIBITORS FOR TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1979-11-27 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 ALOX12 1789/4885HSP90AA1 2458/4885KDM4E 1058/4885

“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.