SCHEMBL459085

SCHEMBL459085

O=P(O)(Oc1ccccc1)C1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
DPP4 P27487 3/20 0.47
DPP8 Q6V1X1 2/20 0.47
ANPEP P15144 1/20 0.46
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
GHSR Q92847 1/20 0.36
LTA4H P09960 3/20 0.35

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
SCHEMBL416031 0.84 DPP4 (0.52) SRCDPP4DPP8ANPEPTDP1
Hydrochloric Acid SCHEMBL7424508 0.83 DPP4 (0.53) SRCDPP4DPP8ANPEPTDP1
SCHEMBL7426176 0.79 DPP4 (0.48) SRCDPP4DPP8ANPEPTDP1
Hydrochloric Acid SCHEMBL7424349 0.78 DPP4 (0.49) SRCDPP4DPP8ANPEPTDP1
SCHEMBL28000354 0.76 DPP4 (0.45) SRCDPP4DPP8ANPEPTDP1
SCHEMBL11658493 0.73 SRC (0.52) SRCDPP4DPP8ANPEPTDP1
SCHEMBL5819393 0.73 DPP4 (0.54) SRCDPP4DPP8ANPEPCYP1A2
SCHEMBL672896 0.71 SRC (0.70) SRCANPEPTDP1L3MBTL1KDM4E
SCHEMBL17559995 0.71 SRC (0.44) SRCDPP4DPP8ANPEPTDP1
Piperazine SCHEMBL8466410 0.71 SRC (0.57) SRCANPEPTDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018134335-A1 SUBSTITUTED IMIDAZOPYRIDINPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-26 WO disclosed
CN-105008364-B substituted Imidazopyridazines 拜耳制药股份公司 2017-11-07 CN disclosed
EP-2951175-B1 SUBSTITUTED PYRAZOLOPYRIMIDINYLAMINO-INDAZOLES Bayer Pharma AG (DE) 2017-10-04 EP disclosed
EP-2961752-B1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma AG (DE) 2017-09-13 EP disclosed
US-9675612-B2 Substituted thiazolopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-13 US disclosed
US-9556181-B2 Substituted pyrazolopyrimidinylamino-indazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-31 US disclosed
US-9512130-B2 Substituted imidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-06 US disclosed
CN-103649087-B Substituted imidazopyridine and intermediate thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-30 CN disclosed
US-9388140-B2 Substituted benzimidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-12 US disclosed
US-9382255-B2 Substituted pyrrolopyrimidinylamino-benzothiazolones as MKNK kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-05 US disclosed
EP-2694500-A1 SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2014-02-12 EP disclosed
EP-2691375-A1 SUBSTITUTED BENZIMIDAZOLES Bayer Intellectual Property GmbH (DE) 2014-02-05 EP disclosed
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-19 US disclosed
WO-2013174743-A1 SUBSTITUTED PYRROLOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 WO disclosed
WO-2013174735-A1 SUBSTITUTED BENZOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 WO disclosed
CN-103370318-A Substituted imidazopyridazines BAYER IP GMBH 2013-10-23 CN disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012136531-A1 SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-11 WO disclosed
WO-2012130905-A1 SUBSTITUTED BENZIMIDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 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 (1 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-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BUB1, TTBK1, BUB1B SRC 534/4885DPP4 2242/4885DPP8 2375/4885

“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.