SCHEMBL19944330

SCHEMBL19944330

C=Nc1c(/C=C\C)ccc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
CCR1 P32246 3/20 0.44
CCR5 P51681 3/20 0.44
CCR8 P51685 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 3/20 0.44
HTT P42858 3/20 0.44
MMP2 P08253 2/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL24300010 0.89 LMNA (0.46) LMNAMAPTKDM4ETDP1CCR1
SCHEMBL23370403 0.85 LMNA (0.37) LMNAMAPTKDM4ETDP1CCR1
SCHEMBL22837821 0.85 LMNA (0.44) LMNAMAPTKDM4ETDP1CCR1
SCHEMBL13342143 0.84 LMNA (0.41) LMNAMAPTKDM4ETDP1CCR1
SCHEMBL19020368 0.81 LMNA (0.43) LMNAMAPTKDM4ETDP1CCR1
SCHEMBL21841122 0.80 CCR1 (0.38) LMNAMAPTKDM4ETDP1CCR1
SCHEMBL21370989 0.79 CCR1 (0.32) LMNAMAPTKDM4ETDP1CCR1
SCHEMBL23347433 0.79 BRD4 (0.35) LMNAMAPTKDM4ETDP1CCR1
SCHEMBL19322289 0.78 CCR1 (0.44) LMNAKDM4ECCR1CCR5RAB9A
SCHEMBL19831120 0.78 TDP1 (0.36) LMNAMAPTKDM4ETDP1CCR1

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
US-10804473-B2 Electron transport materials for electronic applications LG CHEM, LTD. (KR) 2020-10-13 US disclosed
US-20200054647-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2020-02-20 US disclosed
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-29 US disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
US-20190070317-A1 IN-VIVO REACTIVE SPECIES IMAGING CALIPER LIFE SCIENCES, INC. 2019-03-07 US disclosed
EP-2011175-B1 METHODS OF MANUFACTURING ELECTRIC DEVICES CAMBRIDGE DISPLAY TECH LTD (GB) 2019-02-20 EP disclosed
US-20180065095-A1 LIGHT-DRIVEN ION-PUMPING MEMBRANE SYSTEMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-03-08 US 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 (3 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-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 LMNA 4562/4885MAPT 1709/4885KDM4E 4511/4885
US-10804473-B2 Electron transport materials for electronic applications CCNE2, ESR2, CCNL2 LMNA 1038/4885MAPT 3198/4885KDM4E 3342/4885
US-20200054647-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS MYC, MYCBP, MCL1 LMNA 3613/4885MAPT 3019/4885KDM4E 2445/4885

“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.