SCHEMBL17858634

SCHEMBL17858634

Cc1ccc(OCc2cccnc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.55
LRRK2 Q5S007 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
ATM Q13315 2/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
GFER P55789 1/20 0.46
GRM5 P41594 1/20 0.45
IKBKB O14920 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL171231 0.86 LMNA (0.60) LRRK2SLC6A4HTR1ADRD2NPC1
SCHEMBL2038082 0.83 LRRK2 (0.50) LRRK2SLC6A4HTR1ADRD2KMT2A
SCHEMBL4422123 0.83 CYP19A1 (0.55) MRGPRX4SLC6A4HTR1ADRD2NPC1
SCHEMBL27299216 0.82 SLC6A4 (0.47) SLC6A4HTR1ADRD2KMT2ALMNA
SCHEMBL6978367 0.82 KDR (0.52) LRRK2SLC6A4HTR1ADRD2KMT2A
SCHEMBL19728971 0.82 RXRA (0.55) MRGPRX4SLC6A4HTR1ADRD2NPC1
SCHEMBL169716 0.82 MRGPRX4 (0.53) MRGPRX4SLC6A4ATMNPC1KMT2A
SCHEMBL130824 0.82 MRGPRX4 (0.68) MRGPRX4ATMNPC1KMT2AMAPT
SCHEMBL29957121 0.81 LRRK2 (0.51) LRRK2SLC6A4HTR1ADRD2KMT2A
SCHEMBL29538704 0.80 LRRK2 (0.50) LRRK2SLC6A4HTR1ADRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
WO-2016100347-A2 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-06-23 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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 MRGPRX4 3402/4885LRRK2 455/4885SLC6A4 2423/4885

“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.