SCHEMBL6961595

SCHEMBL6961595

CC(C)/C=N/N1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 4/20 0.42
KMT2A Q03164 3/20 0.41
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HTR6 P50406 1/20 0.30

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
SCHEMBL6151146 0.80 KDM4E (0.35) RAB9ASMN1; SMN2MAPK1KMT2AL3MBTL1
SCHEMBL6151148 0.80 KDM4E (0.35) RAB9ASMN1; SMN2MAPK1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL7451532 0.78 KDM4E (0.34) RAB9ASMN1; SMN2MAPK1KMT2AL3MBTL1
SCHEMBL6962187 0.78 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL21428536 0.76 SIGMAR1 (0.30)
SCHEMBL21428541 0.76 MAPK1 (0.31) SMN1; SMN2MAPTMAPK1L3MBTL1TDP1
SCHEMBL21428543 0.74
SCHEMBL6960389 0.74 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL9975308 0.72 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL19559967 0.71 ALDH1A1 (0.30) HTTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-12-15 US disclosed
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2021-01-28 US disclosed
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 US disclosed
WO-2019191189-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2019-10-03 WO disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (5 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 RAB9A 735/4885NPC1 4298/4885SMN1; SMN2 4182/4885
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 RAB9A 3141/4885NPC1 652/4885SMN1; SMN2 318/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 RAB9A 735/4885NPC1 4298/4885SMN1; SMN2 4182/4885
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 RAB9A 3999/4885NPC1 684/4885SMN1; SMN2 779/4885
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 RAB9A 3999/4885NPC1 684/4885SMN1; SMN2 779/4885

“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.