SCHEMBL2062499

SCHEMBL2062499

Nc1ccc2c(c1)C1CCC(C2)N1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.37
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ HTR6 P50406 3/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.33
▸ CA9 Q16790 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
Hydrochloric Acid SCHEMBL2061506 0.98 HTR2A (0.37) CHRNA7CHRNB2CHRNA4HTR6HTR2A
SCHEMBL26880281 0.86 CHRNA7 (0.37) CHRNA7CHRNB2CHRNA4HTR6HTR2A
SCHEMBL26880314 0.79 SIGMAR1 (0.49) CHRNA7CHRNB2CHRNA4HTR6HTR2A
SCHEMBL20425551 0.79 OPRM1 (0.38) CHRNA7CHRNB2CHRNA4HTR2A
SCHEMBL26880261 0.69 CHRNB2 (0.73) CHRNA7CHRNB2CHRNA4
SCHEMBL26880279 0.69 CHRNB2 (0.43) CHRNA7CHRNB2CHRNA4HTR6HTR2A
SCHEMBL26880373 0.69 CHRNB2 (0.73) CHRNA7CHRNB2CHRNA4
SCHEMBL26880294 0.69 SIGMAR1 (0.49) CHRNA7CHRNB2CHRNA4HTR6HTR2A
SCHEMBL2061380 0.67 SIGMAR1 (0.38) CHRNA7CHRNB2CHRNA4HTR6HTR2A
SCHEMBL15021521 0.66 CHRNB2 (0.37) CHRNB2CHRNA4CA9KDM4EMEN1

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
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 — — US 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
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 — — US 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 (3 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 CHRNA7 4538/4885CHRNB2 4478/4885CHRNA4 4066/4885
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 CHRNA7 4828/4885CHRNB2 4807/4885CHRNA4 4812/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CHRNA7 4538/4885CHRNB2 4478/4885CHRNA4 4066/4885

“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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