SCHEMBL1127038

SCHEMBL1127038

Cc1cc(C)nc(N2CCN(c3ccc(N)c(F)c3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 4/20 0.47
MAPT P10636 5/20 0.46
GFER P55789 1/20 0.46
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.40
RAD52 P43351 1/20 0.40
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
PTK2B Q14289 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL942660 0.86 GAA (0.55) PHGDHMAPTGFERKDM4ELMNA
SCHEMBL1019837 0.84 MAPT (0.46) PHGDHMAPTGFERKDM4ELMNA
SCHEMBL943023 0.81 MAPT (0.55) MAPTGFERKDM4ELMNAMEN1
SCHEMBL1645844 0.79 MAPT (0.56) PHGDHMAPTGFERKDM4ELMNA
SCHEMBL17265646 0.79 MAPT (0.52) MAPTGFERKDM4ELMNAMEN1
SCHEMBL1021026 0.79 MAPT (0.42) PHGDHMAPTGFERKDM4ELMNA
SCHEMBL942722 0.78 MAPT (0.51) MAPTGFERKDM4ELMNAMEN1
SCHEMBL942120 0.76 MAPT (0.63) MAPTGFERLMNAKMT2AMAPK1
SCHEMBL14239598 0.75 GAA (0.67) MAPTGFERKDM4ELMNAMEN1
SCHEMBL942805 0.73 SIRT6 (0.56) MAPTLMNAMEN1KMT2ASMN1; SMN2

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 PHGDH 1908/4885MAPT 1696/4885GFER 1780/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 PHGDH 1908/4885MAPT 1696/4885GFER 1780/4885

“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.