SCHEMBL2047006

SCHEMBL2047006

CCOC(=O)N(C(N)=S)c1ccn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
JMJD6 Q6NYC1 1/20 0.38
TRPM8 Q7Z2W7 3/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NAMPT P43490 1/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32
MAPT P10636 2/20 0.31
HSD17B10 Q99714 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL8324045 0.76 TSHR (0.42) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL2047004 0.72 TRPM8 (0.36) PKMJMJD6TRPM8CYP1A2CYP2C9
SCHEMBL7018290 0.72 LMNA (0.42) TRPM8MEN1KMT2ANPC1RAB9A
SCHEMBL27869365 0.71 MAPT (0.40) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27989024 0.70 CA12 (0.39) ALDH1A1MEN1KMT2ANPC1GAA
SCHEMBL3770658 0.70 PKM (0.35) PKMTRPM8
SCHEMBL8609962 0.70 CTDSP1 (0.38) ALDH1A1NPC1RAB9AGAAL3MBTL1
SCHEMBL27869394 0.69 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28794544 0.68 GBA1 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27852492 0.68 CYP1A2 (0.38) PKMALDH1A1NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
CN-101312977-B Fused heterocyclic compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO 2012-06-13 CN disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 US disclosed
WO-2011079231-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH GATEKEEPER PHARMACEUTICAL, INC. (US) 2011-06-30 WO disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
CN-101312977-A Fused heterocyclic compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO (US) 2008-11-26 CN disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (5 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 PKM 483/4885JMJD6 856/4885TRPM8 2881/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 PKM 427/4885JMJD6 993/4885TRPM8 2452/4885
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 PKM 1805/4885JMJD6 3239/4885TRPM8 2692/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 PKM 1805/4885JMJD6 3239/4885TRPM8 2692/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 PKM 469/4885JMJD6 1003/4885TRPM8 2260/4885

“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.