SCHEMBL165488

SCHEMBL165488

N#Cc1c(C(F)(F)F)noc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MLYCD O95822 1/20 0.37
HTT P42858 4/20 0.36
POLB P06746 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KMT2A Q03164 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
SCHEMBL2334751 0.68
SCHEMBL8764860 0.68 MLYCD (0.44) MLYCD
SCHEMBL6294438 0.68 MLYCD (0.40) MLYCD
SCHEMBL20142124 0.64 PRKACA (0.43) LMNAHTTPOLBNCOA1SMN1; SMN2
SCHEMBL4756834 0.64 HTT (0.36) LMNAHTTPOLBNCOA1SMN1; SMN2
SCHEMBL11467892 0.64 LMNA (0.42) LMNAHTTSMN1; SMN2HIF1AMAPT
SCHEMBL9518977 0.62 LMNA (0.54) LMNAHTTPOLBNCOA1SMN1; SMN2
SCHEMBL2480394 0.60 HTT (0.46) LMNAHTTPOLBNCOA1SMN1; SMN2
SCHEMBL16245733 0.60 LMNA (0.33) LMNAKDM4E
SCHEMBL6610363 0.60 MLYCD (0.33) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611802-B1 BICYCLIC AZA-HETEROCYCLES AND THEIR USE BAYER IP GMBH (DE) 2016-02-24 EP disclosed
US-9096592-B2 Bicyclic aza heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
EP-2611802-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 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-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF AADAC, PAICS, TPMT LMNA 984/4885MLYCD 1215/4885HTT 2076/4885

“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.