SCHEMBL2174484

SCHEMBL2174484

CC(C)c1ccc(OCC(=O)NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.49
RAB9A P51151 2/20 0.45
HIF1A Q16665 2/20 0.44
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC2A1 P11166 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 3/20 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
SCHEMBL10126403 0.92 IGF1R (0.52) IGF1RRAB9AHIF1AGAAALOX12
SCHEMBL5668546 0.91 IGF1R (0.49) IGF1RRAB9AHIF1AGAAALOX12
SCHEMBL4385586 0.90 IGF1R (0.48) IGF1RRAB9AHIF1AGAAALOX12
SCHEMBL5668870 0.90 IGF1R (0.51) IGF1RRAB9AHIF1AGAAALOX12
SCHEMBL2172966 0.88 SMN1; SMN2 (0.51) IGF1RRAB9AHIF1AGAAHTT
SCHEMBL19882503 0.88 TRPV1 (0.46) IGF1RRAB9AHIF1AGAAALOX12
SCHEMBL283213 0.88 TRPV1 (0.58) IGF1RRAB9AHIF1AGAAALOX12
SCHEMBL2173689 0.84 CNR1 (0.53) IGF1RRAB9AHIF1AGAAHTT
SCHEMBL5668846 0.83 IGF1R (0.47) IGF1RRAB9AHIF1AGAAHTT
SCHEMBL2171624 0.80 CNR1 (0.51) IGF1RRAB9AHIF1AGAAALOX12

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-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP claimed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 WO claimed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
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
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 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 (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 IGF1R 367/4885RAB9A 2862/4885HIF1A 1345/4885

“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.