SCHEMBL1644676

SCHEMBL1644676

C#Cc1ccnc(OC2CCC(O)CC2)c1F.c1cc2cc-2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
PIM1 P11309 1/20 0.34
TYRO3 Q06418 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
LRRK2 Q5S007 6/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ACACB O00763 1/20 0.32
SYK P43405 1/20 0.31

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
SCHEMBL1642519 0.74 PIM1 (0.35) DHODHPIM1ACACBSYK
SCHEMBL1642265 0.72 ALOX5AP (0.40) DHODHFFAR4LRRK2ALOX5APFEN1
SCHEMBL13388289 0.70 KDM4E (0.47)
SCHEMBL1644263 0.69 MAP4K4 (0.37)
SCHEMBL1643064 0.68 IRAK4 (0.44)
SCHEMBL6886691 0.68 ACACB (0.59) ALOX5APFEN1ACACB
SCHEMBL15696551 0.63 HCRTR1 (0.46) TYRO3HCRTR1HCRTR2
SCHEMBL2369803 0.63 GRM4 (0.40) ALOX5APFEN1
SCHEMBL2379480 0.63 GRM4 (0.40) ALOX5APFEN1
SCHEMBL15800230 0.63 HCRTR1 (0.46) TYRO3HCRTR1HCRTR2

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
EP-2493856-B1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN LA ROCHE (CH) 2016-04-27 EP disclosed
US-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2493856-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. Hoffmann-La Roche AG (CH) 2012-09-05 EP disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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 (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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 DHODH 4832/4885PIM1 3109/4885TYRO3 2128/4885
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 DHODH 4832/4885PIM1 3109/4885TYRO3 2128/4885

“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.