SCHEMBL1127073

SCHEMBL1127073

Cc1cc(-c2ccccc2)cn1CCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ASH1L Q9NR48 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
HTR6 P50406 3/20 0.35
CAMK2D Q13557 2/20 0.34
HTR2A P28223 1/20 0.34
HPGD P15428 1/20 0.33
RCE1 Q9Y256 1/20 0.33
TLR8 Q9NR97 1/20 0.33
EGFR P00533 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL1126929 0.84 TYR (0.46) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1126694 0.82 BRD4 (0.42) BRD4ASH1LKDM4EALDH1A1GLA
SCHEMBL1127094 0.81 TYR (0.49) BRD4KDM4EALDH1A1HPGDTLR8
SCHEMBL1126585 0.79 BRD4 (0.42) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1992886 0.79 BRD4 (0.40) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1126990 0.79 CNR1 (0.45) BRD4KDM4EALDH1A1GLAHPGD
SCHEMBL1126509 0.79 HTR2A (0.42) BRD4TAAR1HTR6HTR2A
SCHEMBL1126844 0.77 KDM4E (0.46) BRD4KDM4EALDH1A1
SCHEMBL1127015 0.77 RAB9A (0.49) ALDH1A1
SCHEMBL1127089 0.77 GLO1 (0.42) BRD4ALDH1A1HPGD

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-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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 (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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885CHRNB2 4879/4885CHRNA4 4845/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885CHRNB2 4879/4885CHRNA4 4845/4885

“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.