SCHEMBL4041012

SCHEMBL4041012

CN1CCCN(C(=O)c2cccc(N)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
KMT2A Q03164 3/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 1/20 0.54
HPGD P15428 4/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PARP1 P09874 1/20 0.50
SLC6A2 P23975 1/20 0.50
CACNA2D1 P54289 1/20 0.50

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
SCHEMBL520565 0.94 CA12 (0.63) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL10437647 0.93 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL15271489 0.89 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL1877596 0.86 KDM4E (0.68) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL7128756 0.85 KDM4E (0.66) CA12CA1CA2CA7CA9
SCHEMBL7090972 0.85 HPGD (0.66) CA12CA1CA2CA7CA9
SCHEMBL10723960 0.83 HPGD (0.68) KMT2APOLBSMN1; SMN2GAAHPGD
SCHEMBL6927396 0.83 PARP1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL6688048 0.82 PARP1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL19430322 0.82 PARP1 (0.58) KMT2APOLBSMN1; SMN2GAAHPGD

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 7 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 disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 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 CA12 4804/4885CA1 4677/4885CA2 4738/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CA12 3781/4885CA1 2382/4885CA2 1573/4885

“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.