SCHEMBL2061940

SCHEMBL2061940

c1ccc2c(c1)C1CNCC2O1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
BPTF Q12830 1/20 0.34

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
Oxalic Acid SCHEMBL10470573 0.88 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4HTR2C
SCHEMBL9660310 0.78 TSHR (0.52)
SCHEMBL1036653 0.76 CHRNB2 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4HTR2C
SCHEMBL2588122 0.76 SLC6A2 (0.44) CHRNB4CHRNA3HTR2CHTR2ACYP2D6
SCHEMBL29598614 0.76 SLC6A2 (0.44) CHRNB4CHRNA3HTR2CHTR2ACYP2D6
SCHEMBL22996317 0.75 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4HTR2C
SCHEMBL13116601 0.74 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4MEN1
SCHEMBL13116598 0.72 ADRA2A (0.41)
SCHEMBL3446940 0.70 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4HTR2C
SCHEMBL13116593 0.70 TSHR (0.32) CHRNB4CHRNA3HTR2A

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 30 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
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-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 US disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 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
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-4910198-A Antiarrhythmia agent ORTHO PHARMACEUTICAL CORPORATION (US) 1990-03-20 US disclosed
US-4910198-A Antiarrhythmia agent ORTHO PHARMACEUTICAL CORPORATION (US) 1990-03-20 US disclosed
US-4855426-A Process of preparing 1,5-epoxy-2,3,4,5-tetrahydro-1H-3-benzazepins ORTHO PHARMACEUTICAL CORPORATION (US) 1989-08-08 US disclosed
US-4855426-A Process of preparing 1,5-epoxy-2,3,4,5-tetrahydro-1H-3-benzazepins ORTHO PHARMACEUTICAL CORPORATION (US) 1989-08-08 US disclosed
US-4761413-A CYTOPROTECTION, ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-02 US disclosed
US-4761413-A CYTOPROTECTION, ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-02 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 (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-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 CHRNB4 4782/4885CHRNA3 3731/4885CHRNB2 4612/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CHRNB4 4290/4885CHRNA3 4261/4885CHRNB2 4478/4885

“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.