SCHEMBL2171500

SCHEMBL2171500

O=C(O)c1coc(CN2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
P2RY2 P41231 1/20 0.48
KMT2A Q03164 3/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
CASP3 P42574 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2174308 0.83 CACNA1G (0.48) MAPTKMT2AHDAC6MEN1HPGD
SCHEMBL23976026 0.77 CASP3 (0.51) MAPTKMT2ACA12CA9MEN1
SCHEMBL31751437 0.75 KMT2A (0.54) MAPTP2RY2KMT2ACA12CA9
SCHEMBL1698808 0.75 KMT2A (0.54) MAPTP2RY2KMT2ACA12CA9
SCHEMBL2173353 0.74 HIF1A (0.52) KMT2AHDAC6MEN1
SCHEMBL2172393 0.73 MEN1 (0.56) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL11910638 0.73 CES1 (0.50) P2RY2KMT2AHDAC6MEN1HPGD
SCHEMBL7425000 0.72 DRD4 (0.51) MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL31434696 0.72 P2RY2 (0.48) MAPTP2RY2KMT2AHDAC6MEN1
SCHEMBL1972922 0.72 CES1 (0.38) P2RY2HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP disclosed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 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 (1 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 MAPT 4524/4885P2RY2 1912/4885KMT2A 973/4885

“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.