SCHEMBL1127598

SCHEMBL1127598

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4[nH]c(C)cc4C(c4ccccc4)c4ccncc4)cc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.39
NPY2R P49146 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MAPT P10636 6/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR3 P51677 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL1989517 0.93 MAPT (0.42) DRD4NPY2RMAPTGAASMN1; SMN2
SCHEMBL1988341 0.90 DRD4 (0.38) DRD4NPY2RPSEN1PSEN2APH1B
SCHEMBL1993235 0.83 KCNQ2 (0.36) DRD4NPY2RPSEN1PSEN2APH1B
SCHEMBL1987967 0.82 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL1126449 0.76 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL1126428 0.74 CASR (0.37) DRD4PSEN1PSEN2APH1BNCSTN
SCHEMBL1126361 0.73 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL1126056 0.73 LMNA (0.42) MAPTCYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL1126906 0.72 GAA (0.35) NPY2RPSEN1PSEN2APH1BNCSTN
SCHEMBL1127594 0.72 MAPT (0.37) NPY2RMAPTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed
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

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 DRD4 1570/4885NPY2R 1755/4885PSEN1 688/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 DRD4 1570/4885NPY2R 1755/4885PSEN1 688/4885

“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.