SCHEMBL4638895

SCHEMBL4638895

CCOc1ccc2nc(C(N)=O)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
TDP1 Q9NUW8 3/20 0.64
LMNA P02545 2/20 0.64
KDM4E B2RXH2 2/20 0.64
PKM P14618 2/20 0.64
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA3 P07451 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
CA5A P35218 1/20 0.64
CA7 P43166 1/20 0.64
HIF1A Q16665 1/20 0.64
CA9 Q16790 1/20 0.64
CA13 Q8N1Q1 1/20 0.64
CA14 Q9ULX7 1/20 0.64
CA5B Q9Y2D0 1/20 0.64
ALDH1A1 P00352 6/20 0.63
HSD17B10 Q99714 3/20 0.63

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
SCHEMBL4991903 0.89 MAPT (0.53) KMT2ATDP1LMNAKDM4EPKM
SCHEMBL29645019 0.86 KMT2A (0.61) KMT2ATDP1LMNAKDM4EPKM
SCHEMBL3086399 0.84 MAPT (0.61) KMT2ACYP3A4TSHRSMN1; SMN2MAPT
SCHEMBL2091022 0.81 ALDH1A1 (0.60) KMT2ATDP1LMNAKDM4EPKM
SCHEMBL233589 0.78 CYP3A4 (1.00) KMT2ATDP1LMNAKDM4EPKM
Ethoxzolamide SCHEMBL63941 0.78 CA2 (1.00) KMT2ATDP1LMNAKDM4EPKM
SCHEMBL3086757 0.78 NPC1 (0.63) LMNAPKMCA12CA1CA2
SCHEMBL8381667 0.78 MAOB (0.46) KMT2ACA1CA2CA4MAPT
Ethoxzolamide SCHEMBL29581803 0.78 CA2 (1.00) KMT2ATDP1LMNAKDM4EPKM
SCHEMBL8773250 0.77 CA2 (0.50) KMT2ACA2CYP3A4SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
US-7001905-B2 Substituted diarylamines as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-21 US disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
US-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors BIWERSI CATHLIN (US) 2003-12-04 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 (3 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 KMT2A 4657/4885TDP1 2548/4885LMNA 4213/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 KMT2A 4657/4885TDP1 2548/4885LMNA 4213/4885
US-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors NRAS, MAPK6, MAPK12 KMT2A 636/4885TDP1 851/4885LMNA 2398/4885

“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.