SCHEMBL212932

SCHEMBL212932

CN(C)Cc1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
HDAC1 Q13547 1/20 0.36
FOXO1 Q12778 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL214872 0.91 MAPT (0.42) HDAC1ALDH1A1KDM4ECYP3A4KMT2A
SCHEMBL215043 0.88 KDM4E (0.38) HDAC1ALDH1A1KDM4ECYP3A4NPSR1
SCHEMBL214773 0.88 KDM4E (0.45) ALDH1A1KDM4ECYP3A4MEN1KMT2A
SCHEMBL214164 0.87 ALDH1A1 (0.38) HDAC1ALDH1A1KDM4ECYP3A4RAB9A
SCHEMBL214714 0.85 MAPT (0.44) ALDH1A1KDM4ECYP3A4MEN1KMT2A
SCHEMBL214646 0.83 EPHB3 (0.44) ALDH1A1KDM4ECYP3A4MEN1KMT2A
SCHEMBL213795 0.83 HSD17B10 (0.49) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL215595 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4MEN1KMT2A
SCHEMBL214272 0.83 KDM4E (0.39) HDAC1ALDH1A1KDM4ECYP3A4MEN1
SCHEMBL216074 0.83 KDM4E (0.43) ALDH1A1KDM4ECYP3A4MEN1KMT2A

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 3 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-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 PIK3CD 178/4885HDAC1 2196/4885FOXO1 4659/4885

“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.