Sugi Predict

Sugi Predict / Compounds / SCHEMBL3589274

SCHEMBL3589274

SCHEMBL3589274

CN(C)/C=C(\C#N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ CES1 P23141 2/20 0.44
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ CA12 O43570 1/20 0.41

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
SCHEMBL3594651 1.00 CYP1A2 (0.48) CYP1A2CYP3A4HIF1AMAPTKDM4E
SCHEMBL3589279 1.00 CYP1A2 (0.48) CYP1A2CYP3A4HIF1AMAPTKDM4E
SCHEMBL15727530 0.83 CYP1A2 (0.52) CYP1A2CYP3A4HIF1AMAPTKDM4E
SCHEMBL4173656 0.82 ALDH1A1 (0.56) CYP1A2CYP3A4HIF1AMAPTKDM4E
SCHEMBL4173663 0.82 ALDH1A1 (0.56) CYP1A2CYP3A4HIF1AMAPTKDM4E
SCHEMBL3589865 0.81 CYP3A4 (0.46) CYP1A2CYP3A4HIF1AMAPTKDM4E
SCHEMBL3589862 0.81 CYP3A4 (0.46) CYP1A2CYP3A4HIF1AMAPTKDM4E
SCHEMBL9191654 0.81 EGFR (0.56) MAPTKDM4ELMNAMAPK1CES1
SCHEMBL9191660 0.81 EGFR (0.56) MAPTKDM4ELMNAMAPK1CES1
SCHEMBL4345319 0.80 KMT2A (0.54) CYP1A2CYP3A4HIF1AMAPTMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 — — US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 — — US disclosed
EP-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 — — EP disclosed
US-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-05-07 — — US disclosed
EP-2004652-A1 3-UNSUBSTITUTED N-(ARYL- OR HETEROARVL)-PYRAZOLORI Ý1,5-A¨PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2008-12-24 — — EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 — — WO disclosed
WO-2007112998-A1 3-UNSUBSTITUTED N-(ARYL- OR HETEROARVL)-PYRAZOLORI [1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 — — WO 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 (2 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-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK CYP1A2 1917/4885CYP3A4 3440/4885HIF1A 690/4885
US-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN CYP1A2 3961/4885CYP3A4 3372/4885HIF1A 4109/4885

“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.