SCHEMBL16013252

SCHEMBL16013252

O=C(CCc1ccccc1)Nc1c(Cl)ncnc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
TSHR P16473 3/20 0.59
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 3/20 0.57
HTT P42858 2/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
ALPL P05186 1/20 0.56
GAA P10253 1/20 0.53
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
P2RX7 Q99572 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL4203468 0.84 EPHX2 (0.54) MEN1KMT2ALMNAL3MBTL1HTT
SCHEMBL16014036 0.78 ADORA3 (0.53) RAB9ANPC1SMN1; SMN2ADORA3ADORA2A
SCHEMBL10016391 0.77 MEN1 (1.00) MEN1KMT2ATSHRLMNAL3MBTL1
SCHEMBL23331269 0.74 MEN1 (0.64) MEN1KMT2ATSHRLMNAL3MBTL1
SCHEMBL7406453 0.74 MEN1 (0.67) MEN1KMT2ATSHRLMNAL3MBTL1
SCHEMBL3265438 0.74 MEN1 (0.57) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL3061430 0.73 MAPT (1.00) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL3678030 0.73 MAPT (0.77) MEN1KMT2ATSHRLMNAL3MBTL1
SCHEMBL10307779 0.73 ALDH1A1 (0.74) MEN1KMT2ATSHRLMNAL3MBTL1
SCHEMBL19185049 0.73 MEN1 (0.70) MEN1KMT2AMAPTHTTGAA

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-9675612-B2 Substituted thiazolopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-13 US disclosed
US-9675612-B2 Substituted thiazolopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-13 US disclosed
US-20160159789-A1 SUBSTITUTED PYRAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-20160159789-A1 SUBSTITUTED PYRAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
EP-3019505-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 EP disclosed
US-20160009734-A1 SUBSTITUTED THIAZOLOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-14 US disclosed
US-20160009734-A1 SUBSTITUTED THIAZOLOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-14 US disclosed
EP-2964656-A1 SUBSTITUTED THIAZOLOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2016-01-13 EP disclosed
WO-2015004024-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 WO disclosed
WO-2015004024-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 WO disclosed
US-8932881-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates GIRI BRIJ PAL (US) 2015-01-13 US disclosed
WO-2014135480-A1 SUBSTITUTED THIAZOLOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-12 WO disclosed
WO-2014135480-A1 SUBSTITUTED THIAZOLOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-12 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-20160009734-A1 SUBSTITUTED THIAZOLOPYRIMIDINES DPYD, TYMP, THPO MEN1 839/4885KMT2A 2593/4885TSHR 2670/4885
US-20160159789-A1 SUBSTITUTED PYRAZOLOPYRIDINES DPYD, PGF, VEGFA MEN1 705/4885KMT2A 3543/4885TSHR 4396/4885

“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.