SCHEMBL213707

SCHEMBL213707

CC(NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
IMPDH2 P12268 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR3 P29371 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL213759 0.82 FADS1 (0.42) KMT2AALDH1A1KDM4EPOLBNPC1
SCHEMBL216074 0.81 KDM4E (0.43) KMT2AALDH1A1KDM4EPOLBNPC1
SCHEMBL213970 0.80 SMN1; SMN2 (0.48) KMT2AALDH1A1KDM4EPOLBRAB9A
SCHEMBL216069 0.79 MPO (0.47) L3MBTL1KMT2AHTTALDH1A1KDM4E
SCHEMBL214714 0.79 MAPT (0.44) L3MBTL1KMT2AHTTALDH1A1KDM4E
SCHEMBL217153 0.78 SOAT1 (0.40) KMT2AHTTALDH1A1KDM4EMAPK1
SCHEMBL214789 0.78 KDM4E (0.47) L3MBTL1KMT2AALDH1A1KDM4EPOLB
SCHEMBL214872 0.78 MAPT (0.42) KMT2AALDH1A1KDM4EPOLBNPC1
SCHEMBL214646 0.77 EPHB3 (0.44) KMT2AHTTALDH1A1KDM4EPOLB
SCHEMBL215132 0.77 CYP3A4 (0.44) L3MBTL1KMT2AHTTALDH1A1KDM4E

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 4 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
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 BACE1 4486/4885BACE2 1591/4885L3MBTL1 3660/4885

“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.