SCHEMBL217372

SCHEMBL217372

NC(=O)c1c(C(=O)Nc2ccccc2-n2cccc2)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 3/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 1/20 0.37
CYP3A4 P08684 1/20 0.37
SIRT1 Q96EB6 1/20 0.36
STK33 Q9BYT3 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL214714 0.85 MAPT (0.44) ALDH1A1MEN1KMT2AL3MBTL1CYP3A4
SCHEMBL214646 0.85 EPHB3 (0.44) ALDH1A1MEN1KMT2ACYP3A4SIRT1
SCHEMBL215644 0.85 KDM4E (0.41) ALDH1A1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL214789 0.84 KDM4E (0.47) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL214872 0.84 MAPT (0.42) ALDH1A1KMT2AHDAC1CYP3A4MAPT
SCHEMBL214272 0.83 KDM4E (0.39) ALDH1A1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL215595 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL216074 0.83 KDM4E (0.43) ALDH1A1MEN1KMT2ACYP3A4SIRT1
SCHEMBL213503 0.83 STK33 (0.39) ALDH1A1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL214784 0.83 CYP3A4 (0.39) MEN1KMT2AHDAC1CYP3A4SIRT1

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 HCRTR1 4471/4885HCRTR2 1923/4885ALDH1A1 4295/4885

“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.