SCHEMBL214784

SCHEMBL214784

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.38
EPHB3 P54753 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
CTSS P25774 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
PKM P14618 1/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
STK33 Q9BYT3 2/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
TYMS P04818 1/20 0.35

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
SCHEMBL214646 0.85 EPHB3 (0.44) CYP3A4TDP1EPHB3SIRT1SMN1; SMN2
SCHEMBL214714 0.85 MAPT (0.44) CYP3A4RAB9ANPC1TDP1PKM
SCHEMBL215644 0.85 KDM4E (0.41) CYP3A4RAB9ANPC1TDP1HDAC1
SCHEMBL214872 0.84 MAPT (0.42) CYP3A4RAB9ANPC1TDP1HDAC1
SCHEMBL214789 0.84 KDM4E (0.47) TDP1SIRT1STK33ATMMEN1
SCHEMBL216074 0.83 KDM4E (0.43) CYP3A4RAB9ANPC1SIRT1SMN1; SMN2
SCHEMBL215595 0.83 ALDH1A1 (0.46) CYP3A4RAB9ANPC1TDP1SMN1; SMN2
SCHEMBL214272 0.83 KDM4E (0.39) CYP3A4RAB9ANPC1TDP1HDAC1
SCHEMBL213503 0.83 STK33 (0.39) CYP3A4RAB9ANPC1TDP1HDAC1
SCHEMBL216885 0.83 CNR1 (0.42) CYP3A4RAB9ANPC1EPHB3SMN1; SMN2

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 CYP3A4 3666/4885RAB9A 2213/4885NPC1 3307/4885

“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.