SCHEMBL213518

SCHEMBL213518

COc1cccc(CNC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ROCK2 O75116 4/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
MMP13 P45452 11/20 0.46
ROCK1 Q13464 3/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 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
SCHEMBL213851 0.91 L3MBTL1 (0.46) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL213970 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL216364 0.85 NTRK1 (0.49) SMN1; SMN2MEN1KMT2APRKACAROCK1
SCHEMBL215699 0.84 MAPT (0.43) SMN1; SMN2KMT2AKDM4EPOLB
SCHEMBL216143 0.83 NPC1 (0.49) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL213393 0.81 MAPT (0.46) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL216561 0.81 MAPT (0.49) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL216093 0.80 MAPT (0.49) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL214763 0.80 NTRK1 (0.49) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL214139 0.80 MAPT (0.49) SMN1; SMN2MEN1KMT2AKDM4EHPGD

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 SMN1; SMN2 2516/4885MEN1 3504/4885KMT2A 437/4885

“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.