SCHEMBL2487640

SCHEMBL2487640

CN(C)Cc1cccc(-c2ccccc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
HNF4A P41235 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
FOLH1 Q04609 1/20 0.41
PTPN5 P54829 1/20 0.41
DPP4 P27487 1/20 0.41
HTR7 P34969 3/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL18378524 0.86 ADORA2A (0.47) PDCD1CD274HNF4AHDAC4HDAC2
SCHEMBL18189726 0.83 PDCD1 (0.44) PDCD1CD274HNF4AHDAC4HDAC2
SCHEMBL3621894 0.83 ADORA2A (0.50) PDCD1CD274HNF4AHDAC4HDAC2
SCHEMBL3464186 0.83 DPP4 (0.54) PDCD1CD274TAAR1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6048562 0.81 DPP4 (0.52) PDCD1CD274TAAR1SLC6A2SLC6A4
Bromide SCHEMBL27653706 0.81 DPP4 (0.52) PDCD1CD274TAAR1SLC6A2SLC6A4
SCHEMBL1698715 0.80 GABRA1 (0.54) SLC6A2SLC6A4ALDH1A1TSHRHSD17B10
SCHEMBL26574289 0.80 PDCD1 (0.46) PDCD1CD274TAAR1SLC6A2SLC6A4
SCHEMBL11048530 0.80 CD274 (0.65) PDCD1CD274TAAR1SLC6A2SLC6A4
SCHEMBL10911038 0.79 GABRA1 (0.61) PDCD1CD274HNF4AHDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367078-B2 Kinase inhibitor compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-02-05 US claimed
US-9133039-B2 Kinase inhibitor compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-09-15 US disclosed
US-9133039-B2 Kinase inhibitor compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-09-15 US disclosed
US-20140248634-A1 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2014-09-04 US disclosed
US-20140193518-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-07-10 US disclosed
US-20140193518-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-07-10 US disclosed
WO-2013019655-A2 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-02-07 WO disclosed
US-8367078-B2 Kinase inhibitor compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-02-05 US disclosed
US-8367078-B2 Kinase inhibitor compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-02-05 US disclosed
CN-102395557-A Kinase inhibitor compounds UNIV FLORIDA 2012-03-28 CN disclosed
US-20110301159-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF SOUTH FLORIDA (US) 2011-12-08 US disclosed
EP-2376425-A2 KINASE INHIBITOR COMPOUNDS University of Florida Research Foundation, Inc. (US) 2011-10-19 EP disclosed
US-7834062-B2 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20100278933-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC (US) 2010-11-04 US disclosed
US-20100278933-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC (US) 2010-11-04 US disclosed
WO-2010068710-A2 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO disclosed
US-20090298949-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK SHARP & DOHME LLC 2009-12-03 US disclosed
US-7589127-B2 Aminoalkylphenols, methods of using and making the same MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 2005-10-20 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 (5 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-20100278933-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K2, MAP3K6 PDCD1 1452/4885CD274 2433/4885HNF4A 1762/4885
US-20140193518-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K2, MAP3K6 PDCD1 1452/4885CD274 2433/4885HNF4A 1762/4885
US-20090298949-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME NPEPPS, PHOSPHO1, LNPEP PDCD1 3656/4885CD274 4368/4885HNF4A 3269/4885
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP PDCD1 3656/4885CD274 4368/4885HNF4A 3269/4885
US-20110301159-A1 KINASE INHIBITOR COMPOUNDS JAK2, JAK1, JAK3 PDCD1 1269/4885CD274 2358/4885HNF4A 3467/4885

“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.