SCHEMBL894517

SCHEMBL894517

O=P1(c2ccc(F)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
BCHE P06276 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
SLC6A12 P48065 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MCHR1 Q99705 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL894392 0.89 SIGMAR1 (0.59) SIGMAR1ACHEKMT2A
SCHEMBL25431096 0.85 ALDH1A1 (0.52) SIGMAR1KDM4EHTTMEN1KMT2A
SCHEMBL10259180 0.85 SIGMAR1 (0.50) SIGMAR1ACHEBACE1BCHEKMT2A
SCHEMBL10291395 0.82 SIGMAR1 (0.47) SIGMAR1ACHEBACE1BCHEKMT2A
SCHEMBL893730 0.82 BCHE (0.51) SIGMAR1ACHEBACE1BCHEKDM4E
SCHEMBL10259175 0.80 ALDH1A1 (0.56) SIGMAR1ACHEBACE1BCHEKDM4E
SCHEMBL8725812 0.78 SIGMAR1 (0.75) SIGMAR1ACHEBACE1BCHEKDM4E
SCHEMBL18574648 0.77 SIGMAR1 (0.61) SIGMAR1KDM4EKMT2A
SCHEMBL25430929 0.75 LIPG (0.43) SIGMAR1ACHE
SCHEMBL895077 0.74 SIGMAR1 (0.61) SIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
EP-1981888-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF Pharmacyclics, Inc. (US) 2008-10-22 EP disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 US disclosed
WO-2007087068-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2007-08-02 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 (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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885ACHE 3396/4885BACE1 3601/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885ACHE 3396/4885BACE1 3601/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885ACHE 3396/4885BACE1 3601/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885ACHE 3396/4885BACE1 3601/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885ACHE 3396/4885BACE1 3601/4885

“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.