SCHEMBL4385586

SCHEMBL4385586

O=C(COc1ccc(I)cc1)NCc1nc(C(=O)NCCc2cccc(Cl)c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.48
HIF1A Q16665 2/20 0.45
GAA P10253 2/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
TP53 P04637 4/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 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
SCHEMBL10126403 0.91 IGF1R (0.52) IGF1RHIF1AGAAALOX12SMN1; SMN2
SCHEMBL5668870 0.91 IGF1R (0.51) IGF1RHIF1AGAAALOX12SMN1; SMN2
SCHEMBL5668546 0.91 IGF1R (0.49) IGF1RHIF1AGAAALOX12SMN1; SMN2
SCHEMBL2174484 0.90 IGF1R (0.49) IGF1RHIF1AGAAALOX12SMN1; SMN2
SCHEMBL283213 0.89 TRPV1 (0.58) IGF1RHIF1AGAAALOX12SMN1; SMN2
SCHEMBL19882503 0.88 TRPV1 (0.46) IGF1RHIF1AGAAALOX12SMN1; SMN2
SCHEMBL5670028 0.81 IGF1R (0.56) IGF1RHIF1AGAASMN1; SMN2HTT
SCHEMBL2173603 0.80 SGMS1 (0.49) IGF1RHIF1ASMN1; SMN2TRPV1TP53
SCHEMBL2171624 0.80 CNR1 (0.51) IGF1RHIF1AGAAALOX12SMN1; SMN2
SCHEMBL4397597 0.79 TRPV1 (0.45) HIF1ASMN1; SMN2NPC1RAB9AKMT2A

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 5 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-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
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 367/4885HIF1A 1345/4885GAA 2105/4885

“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.