SCHEMBL4044770

SCHEMBL4044770

COCCN(CCOC)Cc1[c]cccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
CA2 P00918 6/20 0.32
KCNA5 P22460 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL998683 0.80 HRH3 (0.42) KMT2AMEN1ALDH1A1POLB
SCHEMBL996139 0.76 HRH3 (0.39) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL198567 0.76 TSHR (0.37) ALDH1A1CA2MAPK1
SCHEMBL160311 0.73 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNA
SCHEMBL5391395 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9769748 0.73 KCNH2 (0.36) KMT2AMEN1ALDH1A1POLBCA2
SCHEMBL8281042 0.72 MEN1 (0.51) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL9530787 0.71 KMT2A (0.37) KMT2AMEN1ALDH1A1POLBKCNA5
SCHEMBL1985558 0.71 TSHR (0.34) CA2
SCHEMBL28096670 0.71 KCNA3 (0.34) KMT2AMEN1ALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP claimed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO claimed
US-7514065-B2 Ruthenic acid nanosheet and production method thereof Sugimoto, Wataru (JP) 2009-04-07 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
US-20040191160-A1 Ruthenic acid nanosheet and production method thereof WATARU SUGIMOTO 2004-09-30 US disclosed
EP-1463071-A2 Ruthenic acid nanosheet and production method thereof Sugimoto, Wataru (JP) 2004-09-29 EP disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 KMT2A 2686/4885MEN1 3865/4885ALDH1A1 3369/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS KMT2A 1910/4885MEN1 3716/4885ALDH1A1 4117/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS KMT2A 3867/4885MEN1 3247/4885ALDH1A1 4151/4885

“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.