SCHEMBL2078036

SCHEMBL2078036

O=c1[nH]c2ccccc2n1-c1ncnc2nn(C3CCCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 7/20 0.39
OPRK1 P41145 7/20 0.39
OPRL1 P41146 7/20 0.39
OPRD1 P41143 4/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
AURKA O14965 1/20 0.38
HPGD P15428 1/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 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
SCHEMBL2077697 0.68 IP6K1 (0.39) LMNAABL1BCRHPGDALDH1A1
SCHEMBL2079417 0.67 ABL1 (0.38) MAPTABL1BCRALDH1A1KDM4E
SCHEMBL2077005 0.67 ABL1 (0.46) ABL1BCR
SCHEMBL2075473 0.67 IP6K1 (0.39) LMNAABL1BCRALDH1A1TSHR
SCHEMBL3142425 0.66 CHRM1 (0.81) CHRM2CHRM4CHRM1CHRM3OPRM1
SCHEMBL2075692 0.66 ABL1 (0.48) ABL1BCR
SCHEMBL3146496 0.65 CHRM2 (0.83) CHRM2CHRM4CHRM1CHRM3OPRM1
SCHEMBL7843023 0.65 JAK3 (0.54) CHRM2CHRM4CHRM1CHRM3
SCHEMBL4084782 0.64 CHRM1 (0.76) CHRM2CHRM4CHRM1CHRM3OPRM1
SCHEMBL3953505 0.62 AKT2 (0.56) CHRM2CHRM4CHRM1CHRM3OPRM1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 CHRM2 234/4885CHRM4 1343/4885CHRM1 276/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 CHRM2 321/4885CHRM4 1407/4885CHRM1 323/4885

“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.