SCHEMBL14744144

SCHEMBL14744144

N#CC(=C(C#N)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
CRHBP P24387 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ESR1 P03372 1/20 0.38
RAB9A P51151 3/20 0.38

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
SCHEMBL14744143 1.00 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL14746322 0.93 ESR1 (0.43) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL14746323 0.93 ESR1 (0.43) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL15494352 0.91 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8722337 0.90 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL14029172 0.89 CES2 (0.43) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL16760716 0.89 ESR1 (0.50) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL21299097 0.87 EGFR (0.42) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL19797941 0.87 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL15494367 0.84 KMT2A (0.39) MEN1KMT2AMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017176216-A1 A MULTIMODAL FLUORESCENT PROBE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-12 WO claimed
US-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-25 US disclosed
WO-2017176216-A1 A MULTIMODAL FLUORESCENT PROBE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-12 WO disclosed
WO-2017176216-A1 A MULTIMODAL FLUORESCENT PROBE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-12 WO disclosed
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-06 US disclosed
WO-2013029340-A9 BIOCOMPATIBLE NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBES AND METHODS OF USING THE SAME FOR IN VITRO AND IN VIVO IMAGING THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-07-11 WO disclosed
WO-2013029340-A1 BIOCOMPATIBLE NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBES AND METHODS OF USING THE SAME FOR IN VITRO AND IN VIVO IMAGING THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-03-07 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-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging LGALS3, LGALS1, CD63 MEN1 1917/4885KMT2A 4428/4885MAPT 726/4885
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging LGALS3, LGALS1, CD63 MEN1 1917/4885KMT2A 4428/4885MAPT 726/4885

“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.