SCHEMBL214402

SCHEMBL214402

Cc1ccc(NC(=O)c2ncn(Cc3nc4ccccc4[nH]3)c2C(N)=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
AHR P35869 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NTRK1 P04629 5/20 0.45
PKM P14618 2/20 0.43
DRD4 P21917 1/20 0.41
USP2 O75604 1/20 0.41
NTRK2 Q16620 2/20 0.41
CYP3A4 P08684 2/20 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
SCHEMBL217226 0.84 MEN1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL216491 0.78 NTRK1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL214714 0.75 MAPT (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL213206 0.75 TP53 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL4098726 0.74 MAPT (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL213393 0.74 MAPT (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL2735324 0.73 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL215549 0.73 NPC1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL215002 0.73 PIK3CD (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL216069 0.71 MPO (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 SMN1; SMN2 2516/4885NPC1 3307/4885RAB9A 2213/4885

“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.