SCHEMBL2061985

SCHEMBL2061985

O=[N+]([O-])c1ccc(F)c(CNCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CA4 P22748 1/20 0.40
▸ CDC25C P30307 1/20 0.40

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
SCHEMBL7402979 0.81 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL16197191 0.80 ALDH1A1 (0.53) ALDH1A1HIF1AKMT2AMEN1MAPT
SCHEMBL3594118 0.79 GAA (0.49) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL4751584 0.79 KMT2A (0.45) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL377336 0.79 ALDH1A1 (0.56) ALDH1A1HIF1AKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7601655 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL30879275 0.77 MEN1 (0.45) ALDH1A1HIF1AKMT2AMEN1MAPT
SCHEMBL28921350 0.75 KMT2A (0.46) ALDH1A1HIF1AKMT2AMEN1MAPT
SCHEMBL3119525 0.74 CHRM2 (0.70) ALDH1A1KMT2AMEN1TSHRCA12
SCHEMBL4715997 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTTSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 — — EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 — — EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 — — EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 — — EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 — — US disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 — — US disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 — — US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 — — US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 — — US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 — — US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 — — EP disclosed
CN-101535276-A 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC (US) 2009-09-16 — — CN disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 — — US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 — — US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 — — WO disclosed
US-6489322-B1 BENZOXAZEPINES AS SELECTIVE INHIBITORS OF THE NEURONAL ISOFORM OF NITRIC OXIDE SYNTHASE FOR TREATMENT OF NEURODEGENERATIVE DISEASE ASTRAZENECA AB (SE) 2002-12-03 — — US disclosed
EP-0983268-B1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-07-24 — — EP disclosed
CN-1255131-A Amidine derivatives as inhibitors of nitric oxide synthase ASTRA AB (SE) 2000-05-31 — — CN disclosed
EP-0983268-A1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE Astra Aktiebolag (SE) 2000-03-08 — — EP disclosed
WO-1998050382-A1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRA AKTIEBOLAG (SE) 1998-11-12 — — 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ALDH1A1 77/4885HIF1A 1465/4885KMT2A 501/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALDH1A1 77/4885HIF1A 1465/4885KMT2A 501/4885

“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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