SCHEMBL2729892

SCHEMBL2729892

Cc1nc(-c2[nH]c3ccc(F)cc3c2C)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CSF1R P07333 1/20 0.40
KIF11 P52732 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ACHE P22303 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
METAP2 P50579 1/20 0.36
CHUK O15111 1/20 0.36
OPRK1 P41145 3/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL2731293 0.89 ALOX5 (0.44) ALOX5CSF1RKIF11KEAP1NFE2L2
SCHEMBL2730754 0.86 ALOX5 (0.42) ALOX5CSF1RKIF11KEAP1NFE2L2
SCHEMBL2731040 0.74 CYP1A1 (0.48) ALOX5TRPM8L3MBTL1KDM4EALDH1A1
SCHEMBL8235035 0.70 F2 (0.58) CSF1RKIF11KEAP1NFE2L2KDM4E
SCHEMBL2731580 0.70 L3MBTL1 (0.42) ALOX5L3MBTL1KDM4EALDH1A1GAA
SCHEMBL15193886 0.69 L3MBTL1 (0.40) L3MBTL1KDM4EALDH1A1GAA
SCHEMBL2731560 0.69 KDM4E (0.45) ALOX5KDM4EALDH1A1ACHEHTR2A
SCHEMBL14363624 0.68 L3MBTL1 (0.47) TRPM8L3MBTL1GAAOPRK1GABRG2
SCHEMBL14363635 0.68 L3MBTL1 (0.47) TRPM8L3MBTL1KDM4EALDH1A1GAA
SCHEMBL16856594 0.68 L3MBTL1 (0.47) TRPM8L3MBTL1GAAOPRK1GABRG2

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 ALOX5 346/4885CSF1R 703/4885KIF11 3917/4885

“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.