SCHEMBL2061095

SCHEMBL2061095

CNCCNc1cc([N+](=O)[O-])ccc1C#N

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.48
▸ KAT2B Q92831 2/20 0.48
▸ VCAM1 P19320 2/20 0.47
▸ LMNA P02545 5/20 0.44
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BCL6 P41182 1/20 0.39
▸ BCOR Q6W2J9 1/20 0.39
▸ GLA P06280 1/20 0.38

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
SCHEMBL17194149 0.82 VCAM1 (0.54) RECQLALDH1A1VCAM1LMNATSHR
SCHEMBL2062176 0.77 RECQL (0.52) RECQLALDH1A1VCAM1LMNATDP1
SCHEMBL29830207 0.77 MEN1 (0.61) ALDH1A1TSHRGAAKMT2APOLB
SCHEMBL13232257 0.77 MAPT (0.61) ALDH1A1KAT2BLMNATSHRTDP1
SCHEMBL362030 0.75 RAB9A (0.46) RECQLALDH1A1VCAM1LMNATSHR
SCHEMBL8542184 0.75 GLA (0.65) RECQLALDH1A1LMNATDP1GAA
SCHEMBL8434723 0.73 RECQL (0.70) RECQLALDH1A1VCAM1LMNATSHR
SCHEMBL8446303 0.73 RECQL (0.67) RECQLALDH1A1KAT2BVCAM1LMNA
SCHEMBL8440501 0.73 RECQL (0.59) RECQLALDH1A1VCAM1LMNATDP1
SCHEMBL9373869 0.73 RECQL (0.66) RECQLALDH1A1KAT2BVCAM1LMNA

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 11 patents. 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-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
CN-101535276-B 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC 2013-08-28 — — CN 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-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 — — 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
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 — — 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 RECQL 2146/4885ALDH1A1 77/4885KAT2B 3854/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET RECQL 2146/4885ALDH1A1 77/4885KAT2B 3854/4885

“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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