SCHEMBL2062753

SCHEMBL2062753

CC1(C)CCCN(C(=O)CN2CCCC2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
XIAP P98170 2/20 0.39
BIRC2 Q13490 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP14 P54578 1/20 0.39

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
SCHEMBL11988461 0.88 BIRC2 (0.48) DRD2DRD4ALDH1A1LMNACYP1A2
SCHEMBL2061540 0.86 DRD2 (0.42) DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2061709 0.85 DRD2 (0.39) DRD2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL15404718 0.84 MAPT (0.40) DRD2DRD4ALDH1A1LMNARECQL
SCHEMBL2060998 0.84 ALDH1A1 (0.45) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL397120 0.83 LMNA (0.42) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL2060935 0.83 LMNA (0.45) DRD2ALDH1A1LMNARECQLMAPT
SCHEMBL2061970 0.83 ALDH1A1 (0.42) DRD2DRD4ALDH1A1KDM4EPOLB
SCHEMBL14507881 0.81 ALDH1A1 (0.43) DRD2DRD4ALDH1A1LMNACYP1A2
SCHEMBL31378847 0.80 DRD2 (0.72) DRD2DRD4ALDH1A1LMNACYP1A2

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 9 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
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
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 DRD2 779/4885DRD4 409/4885ALDH1A1 77/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET DRD2 779/4885DRD4 409/4885ALDH1A1 77/4885

“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.