SCHEMBL2731764

SCHEMBL2731764

CNC(=O)c1c(Cl)c2ccccc2n1-c1ccc(C(C)N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ RORC P51449 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ SRC P12931 1/20 0.34
▸ USP14 P54578 3/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CENPE Q02224 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2731333 0.81 HDAC6 (0.41) EGFRHDAC6RORCSRCMAPK8
SCHEMBL2730595 0.81 USP14 (0.41) USP14NPC1MEN1KMT2AKDM4E
SCHEMBL2730793 0.74 CNR1 (0.55) —
SCHEMBL7678729 0.74 PLA2G2A (0.51) HDAC6PLA2G2AMAPK8FOLH1F2
SCHEMBL2724250 0.68 OPRK1 (0.35) RORCUSP14MAPK8ADRB2L3MBTL1
SCHEMBL17199956 0.68 OPRK1 (0.35) RORCUSP14MAPK8ADRB2L3MBTL1
Hydrochloric Acid SCHEMBL15194153 0.68 OPRK1 (0.34) RORCUSP14ADRB2L3MBTL1
SCHEMBL17199972 0.68 MAPK8 (0.46) HDAC6PTPN1PLA2G2AMAPK8F10
Hydrochloric Acid SCHEMBL2732706 0.67 MAPK8 (0.45) HDAC6PTPN1PLA2G2AMAPK8F10
SCHEMBL2730314 0.66 CCR2 (0.41) HDAC6RORCPTPN1USP14PLA2G2A

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 EGFR 1950/4885HDAC6 4212/4885RORC 2010/4885

“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.

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