SCHEMBL4044778

SCHEMBL4044778

COCCN(CCOC)Cc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
CA2 P00918 3/20 0.34
CALM1 P0DP23 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL3044715 0.83 TSHR (0.45) ALDH1A1
SCHEMBL8281042 0.80 MEN1 (0.51) MEN1KMT2AALDH1A1CALM1CAMKK2
SCHEMBL6636322 0.79 MEN1 (0.40) MEN1KMT2AALDH1A1POLBCA2
SCHEMBL996084 0.78 HRH3 (0.63) HRH3POLBMAPT
SCHEMBL3746659 0.77 MEN1 (0.50) MEN1KMT2AHRH3ALDH1A1POLB
SCHEMBL3143360 0.77 MAPT (0.59) MEN1KMT2AHRH3ALDH1A1MAPT
SCHEMBL8281044 0.76 MEN1 (0.51) MEN1KMT2AALDH1A1CALM1CAMKK2
SCHEMBL7531410 0.76 HRH3 (0.48) HRH3ALDH1A1MAPT
SCHEMBL9504529 0.74 MEN1 (0.48) MEN1KMT2AHRH3ALDH1A1CALM1
SCHEMBL9989834 0.74 HTT (0.42) MEN1KMT2AHRH3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP 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
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-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
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 (2 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 MEN1 3865/4885KMT2A 2686/4885HRH3 4454/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS MEN1 3716/4885KMT2A 1910/4885HRH3 613/4885

“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.