SCHEMBL2172634

SCHEMBL2172634

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2ccccc2F)cs1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.56
IGF1R P08069 1/20 0.46
HIF1A Q16665 5/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SLC40A1 Q9NP59 3/20 0.44
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2175901 0.91 SCN2A (0.47) TRPV1IGF1RHIF1AKMT2AMEN1
SCHEMBL5668846 0.87 IGF1R (0.47) IGF1RHIF1AKMT2AMEN1SLC40A1
SCHEMBL4390454 0.87 MAPT (0.46) TRPV1HIF1AKMT2AMEN1SLC40A1
SCHEMBL4387635 0.87 SGMS1 (0.47) TRPV1KMT2AMEN1KDM4ECYP1A2
SCHEMBL5667982 0.86 KDM4E (0.47) KMT2AMEN1SLC40A1KDM4ENPC1
SCHEMBL12407087 0.86 HPGD (0.47) KMT2AMEN1SLC40A1KDM4ENPC1
SCHEMBL2173603 0.85 SGMS1 (0.49) TRPV1IGF1RHIF1ASLC40A1
SCHEMBL2172869 0.85 CYP1A2 (0.43) TRPV1HIF1AKMT2AMEN1KDM4E
SCHEMBL4389894 0.85 TRPV1 (0.58) TRPV1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4396904 0.84 MAPT (0.48) TRPV1KMT2AMEN1KDM4ECYP1A2

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 3477/4885IGF1R 367/4885HIF1A 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.