SCHEMBL3462286

SCHEMBL3462286

O=C(NCc1cccc(F)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
ERCC1 P07992 1/20 0.60
ERCC4 Q92889 1/20 0.60
NAMPT P43490 1/20 0.60
PPARG P37231 1/20 0.59
SRC P12931 1/20 0.59
HPGD P15428 2/20 0.58
TSHR P16473 1/20 0.58
TP53 P04637 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
RAB9A P51151 2/20 0.56
NR1H4 Q96RI1 1/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 1/20 0.56
NPC1 O15118 1/20 0.55

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
SCHEMBL5338226 0.92 HPGD (0.63) HDAC2HDAC8HDAC6NAMPTHPGD
SCHEMBL254175 0.91 SRC (0.69) HDAC2HDAC8HDAC6NAMPTSRC
SCHEMBL20804355 0.90 HPGD (0.57) HDAC2HDAC8HDAC6NAMPTSRC
SCHEMBL11901042 0.88 HDAC6 (0.70) HDAC2HDAC8HDAC6ERCC1ERCC4
SCHEMBL14797485 0.86 NAMPT (0.54) NAMPTSRCHPGDTSHRTP53
SCHEMBL22972224 0.86 HPGD (0.57) HDAC2HDAC8HDAC6NAMPTHPGD
SCHEMBL27819670 0.86 NR1H4 (0.63) HDAC2HDAC8HDAC6PPARGHPGD
SCHEMBL1569176 0.86 L3MBTL1 (0.68) NAMPT
SCHEMBL10194841 0.86 MMP13 (0.61) NAMPTTP53MAPTMEN1ALDH1A1
SCHEMBL22047184 0.85 PPARG (0.78) HDAC2HDAC8HDAC6ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264568-A1 SUBSTITUTED TRIAZOLOPYRIDINES HAVING ACTIVITY AS MPS-1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160264568-A1 SUBSTITUTED TRIAZOLOPYRIDINES HAVING ACTIVITY AS MPS-1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
EP-2651888-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
WO-2012080221-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 WO disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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 (3 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 HDAC2 785/4885HDAC8 1227/4885HDAC6 1429/4885
US-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 HDAC2 1902/4885HDAC8 3477/4885HDAC6 2900/4885
US-20160264568-A1 SUBSTITUTED TRIAZOLOPYRIDINES HAVING ACTIVITY AS MPS-1 INHIBITORS CMA1, TPP1, TPSAB1 HDAC2 2629/4885HDAC8 3169/4885HDAC6 1277/4885

“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.