SCHEMBL2013978

SCHEMBL2013978

CC(=O)c1cc(C)c2cccnc2c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.50
SLC6A2 P23975 3/20 0.50
BRD4 O60885 1/20 0.50
CCR1 P32246 1/20 0.50
CCR8 P51685 1/20 0.50
KDM4E B2RXH2 8/20 0.49
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
MAPT P10636 5/20 0.46
NSD2 O96028 1/20 0.46
POLB P06746 1/20 0.46
MCL1 Q07820 1/20 0.46
HSP90AA1 P07900 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TDP1 Q9NUW8 5/20 0.45
ALDH1A1 P00352 5/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 3/20 0.45
ALOX15 P16050 2/20 0.45
USP2 O75604 2/20 0.45

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
SCHEMBL10561821 0.86 KDM4E (0.55) HTTSLC6A2BRD4CCR1CCR8
SCHEMBL2015831 0.83 L3MBTL1 (0.60) HTTSLC6A2KDM4EMEN1KMT2A
SCHEMBL2014457 0.83 ALOX12 (0.64) HTTSLC6A2KDM4EMEN1KMT2A
SCHEMBL17046868 0.80 HTT (0.59) HTTSLC6A2BRD4CCR1CCR8
SCHEMBL318630 0.80 HTT (0.59) HTTSLC6A2BRD4CCR1CCR8
SCHEMBL29577465 0.80 HTT (0.59) HTTSLC6A2BRD4CCR1CCR8
SCHEMBL3588090 0.80 PIK3CD (0.50) HTTSLC6A2KDM4EMEN1KMT2A
SCHEMBL3590445 0.79 PAX8 (0.56) KDM4EPAX8L3MBTL1CTSB
SCHEMBL1133512 0.78 HTT (0.58) HTTSLC6A2BRD4CCR1CCR8
SCHEMBL15703122 0.78 KDM4E (0.68) HTTSLC6A2BRD4KDM4EMEN1

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 13 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

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 HTT 2725/4885SLC6A2 4791/4885BRD4 874/4885

“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.