SCHEMBL2730889

SCHEMBL2730889

Cn1nnc(-c2[nH]c3ccc(F)cc3c2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.44
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
KIF11 P52732 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ACHE P22303 1/20 0.35
METAP2 P50579 1/20 0.35
CHUK O15111 1/20 0.35
MAPK10 P53779 1/20 0.34
RIPK1 Q13546 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL2730246 0.83 RET (0.40) RETKDM4EALDH1A1MAPTMEN1
SCHEMBL2730754 0.71 ALOX5 (0.42) RETKDM4EALDH1A1GLAGAA
SCHEMBL2730483 0.69 RET (0.40) RETKDM4EALDH1A1GLAGAA
SCHEMBL13841588 0.66 NPC1 (0.54) TRPM8KMT2ADRD2
SCHEMBL2527716 0.64 TRPM8 (0.40) KDM4EALDH1A1MAPTTRPM8MEN1
SCHEMBL2525799 0.64 EPHX2 (0.40) KDM4EALDH1A1MAPTTRPM8MEN1
SCHEMBL24486654 0.63 KIF11 (0.44) KDM4EALDH1A1GLAGAAHTT
SCHEMBL24451733 0.63 MEN1 (0.45) KDM4EALDH1A1GLAGAAHTT
SCHEMBL8483899 0.63 GAA (0.46) RETKDM4EALDH1A1GLAGAA
SCHEMBL693599 0.62 MAPK14 (0.55) KDM4EMAPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP disclosed
EP-2635567-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2013-09-11 EP disclosed
US-20130217702-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. 2013-08-22 US disclosed
WO-2012059776-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2012-05-10 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 (1 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-20130217702-A1 INDOLE DERIVATIVES BDKRB1, BDKRB2, ARRB1 RET 1810/4885KDM4E 3663/4885ALDH1A1 1752/4885

“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.