SCHEMBL2171492

SCHEMBL2171492

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2ccccc2F)co1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.56
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
HIF1A Q16665 7/20 0.43
SLC40A1 Q9NP59 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL5668410 0.89 LTA4H (0.48) TRPV1MEN1KMT2ACACNA1GCACNA1H
SCHEMBL4388997 0.85 CACNA1G (0.46) TRPV1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL2171264 0.83 NPC1 (0.55) MEN1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL5670058 0.83 TRPV1 (0.45) TRPV1MEN1KMT2ACACNA1GCACNA1H
SCHEMBL2171605 0.83 TRPV1 (0.58) TRPV1MEN1KMT2ACACNA1GCACNA1H
SCHEMBL5668902 0.83 CACNA1G (0.44) MEN1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL2172634 0.82 TRPV1 (0.56) TRPV1MEN1KMT2AHIF1ASLC40A1
SCHEMBL5667686 0.82 CACNA1G (0.46) TRPV1MEN1KMT2ACACNA1GCACNA1H
SCHEMBL5669931 0.81 ALDH1A1 (0.52) MEN1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL2172285 0.81 CACNA1G (0.45) MEN1KMT2ACACNA1GCACNA1HCACNA1I

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-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 TRPV1 3477/4885MEN1 3194/4885KMT2A 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.