SCHEMBL13736655

SCHEMBL13736655

Fc1ccccc1Cc1ncc2ccc(Cl)nn12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADCY10 Q96PN6 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.34
TNF P01375 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL13738580 0.77 PDE10A (0.40) ALDH1A1KDM4EACHELMNAPOLB
SCHEMBL16695052 0.71 MEN1 (0.45) ALDH1A1KDM4EACHEPOLBGAA
SCHEMBL17436168 0.64 HDAC6 (0.43) ALDH1A1KDM4EGAAHPGDTDP1
SCHEMBL11195639 0.64 TAAR1 (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2437697 0.64 HTR6 (0.43) ADCY10ALDH1A1KDM4ELMNAPOLB
SCHEMBL7584372 0.63 ALDH1A1 (0.58) ADCY10ALDH1A1LMNAPOLBGAA
SCHEMBL3301625 0.62 TAAR1 (0.59) ALDH1A1KDM4ELMNA
SCHEMBL27616376 0.61 HTT (0.54) LMNAGAAMAPTTDP1MEN1
SCHEMBL5412740 0.61 MEN1 (0.39) ADCY10ALDH1A1HPGDMAPTTDP1
SCHEMBL3802061 0.61 TDP1 (0.38) ADCY10ALDH1A1KDM4EHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
EP-2822951-B1 SUBSTITUTED AZABICYCLES AND USE THEREOF BAYER IP GMBH (DE) 2017-07-26 EP disclosed
EP-2822951-B1 SUBSTITUTED AZABICYCLES AND USE THEREOF BAYER IP GMBH (DE) 2017-07-26 EP disclosed
US-9498480-B2 Substituted azabicycles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-22 US disclosed
US-9498480-B2 Substituted azabicycles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-22 US disclosed
US-9498480-B2 Substituted azabicycles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-22 US disclosed
EP-2705037-B1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND USE THEREOF BAYER IP GMBH (DE) 2016-06-22 EP disclosed
EP-2705037-B1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND USE THEREOF BAYER IP GMBH (DE) 2016-06-22 EP disclosed
US-9150580-B2 Substituted imidazopyridines and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-06 US disclosed
US-9150580-B2 Substituted imidazopyridines and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-06 US disclosed
US-20140171434-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF BAYER PHARMA AKTIENGESSELLSCHAFT (DE) 2014-06-19 US disclosed
US-20140113900-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
US-20140113900-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
US-20140113900-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
EP-2705038-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-03-12 EP disclosed
EP-2705037-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-03-12 EP disclosed
WO-2013131923-A1 SUBSTITUTED AZABICYCLES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-12 WO disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 WO disclosed
WO-2012152630-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 WO disclosed
WO-2012152629-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 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 (2 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-20140171434-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF TPMT, PPIP5K2, DPP4 ADCY10 4862/4885ALDH1A1 686/4885KDM4E 3827/4885
US-20140113900-A1 SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF TPMT, TNNI3, PPIP5K2 ADCY10 4845/4885ALDH1A1 818/4885KDM4E 3306/4885

“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.