SCHEMBL2172958

SCHEMBL2172958

CCc1ccc(NC(=O)NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.54
IGF1R P08069 1/20 0.49
POLB P06746 2/20 0.48
RAB9A P51151 5/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2173689 0.90 CNR1 (0.53) CNR1IGF1RPOLBRAB9AKMT2A
SCHEMBL2171624 0.90 CNR1 (0.51) CNR1IGF1RPOLBRAB9AKMT2A
SCHEMBL5668546 0.83 IGF1R (0.49) IGF1RPOLBRAB9AKMT2ASMN1; SMN2
SCHEMBL4388193 0.83 IGF1R (0.49) IGF1RRAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL5670028 0.83 IGF1R (0.56) IGF1RRAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL2174499 0.81 CNR1 (0.49) CNR1IGF1RPOLBRAB9AKMT2A
SCHEMBL2171406 0.80 SMN1; SMN2 (0.57) CNR1IGF1RRAB9AKMT2ASMN1; SMN2
SCHEMBL2174354 0.79 HDAC3 (0.52) IGF1RRAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL2172966 0.79 SMN1; SMN2 (0.51) IGF1RRAB9AKMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2173104 0.79 SMN1; SMN2 (0.56) CNR1IGF1RRAB9AKMT2ASMN1; SMN2

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
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US 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
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 CNR1 1153/4885IGF1R 367/4885POLB 3321/4885

“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.