SCHEMBL1707681

SCHEMBL1707681

Cc1cc(C)nc(N2CCOCC2)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.79
ALDH1A1 P00352 3/20 0.72
NPSR1 Q6W5P4 2/20 0.68
HRH4 Q9H3N8 1/20 0.68
LMNA P02545 4/20 0.60
MAPT P10636 3/20 0.60
GLA P06280 1/20 0.60
PKM P14618 1/20 0.56
MEN1 O00255 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
MAPK1 P28482 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
POLB P06746 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 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
SCHEMBL13326955 0.89 KMT2A (1.00) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL11851842 0.89 KMT2A (0.70) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL10278900 0.87 KMT2A (0.68) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL5480430 0.87 KMT2A (0.68) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL11898909 0.87 KMT2A (0.68) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL11960321 0.84 KMT2A (0.64) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL10847885 0.83 KMT2A (0.62) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL24394696 0.82 KMT2A (0.60) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL3113600 0.82 KMT2A (0.60) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL13033934 0.80 KMT2A (0.56) KMT2AALDH1A1NPSR1HRH4MAPT

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019101853-A1 TREATMENT OF SKIN DISORDERS PIQUR THERAPEUTICS AG (CH) 2019-05-31 WO disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
EP-2819996-B1 6-ALKYNYL PYRIDINES AS SMAC MIMETICS BOEHRINGER INGELHEIM INT (DE) 2017-01-04 EP disclosed
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
WO-2015200680-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
EP-2640722-B1 PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS HOFFMANN LA ROCHE (CH) 2015-11-04 EP disclosed
WO-2015091584-A1 THIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS TYK2 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
EP-2819996-A1 6 - ALKYNYL PYRIDINES AS SMAC MIMETICS Boehringer Ingelheim International GmbH (DE) 2015-01-07 EP disclosed
CN-104169257-A 6-alkynyl-pyridines as SMAC mimetics BOEHRINGER INGELHEIM INT 2014-11-26 CN disclosed
US-8859541-B2 6-alkynylpyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-20100137311-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-06-03 US disclosed
US-7683058-B2 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2010-03-23 US disclosed
US-7683058-B2 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2010-03-23 US disclosed
US-7683058-B2 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2010-03-23 US disclosed
EP-1937653-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H.Lundbeck A/S (DK) 2008-07-02 EP disclosed
WO-2007065449-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H. LUNDBECK A/S (DK) 2007-06-14 WO disclosed
WO-2007065449-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS KCNQ POTASSIUM CHANNELS OPENERS H. LUNDBECK A/S (DK) 2007-06-14 WO disclosed
US-20070066612-A1 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2007-03-22 US disclosed
US-20070066612-A1 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2007-03-22 US disclosed
US-20070066612-A1 Substituted pyrimidine derivatives H. LUNDBECK A/S (DK) 2007-03-22 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-20070066612-A1 Substituted pyrimidine derivatives DPYD, TYMP, TYMS KMT2A 3194/4885ALDH1A1 641/4885NPSR1 3170/4885
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KMT2A 60/4885ALDH1A1 3367/4885NPSR1 4675/4885
US-20100137311-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS KMT2A 3194/4885ALDH1A1 641/4885NPSR1 3170/4885

“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.