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

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