Pyrimidine

Pyrimidine

SCHEMBL4828523

c1ccc2c(c1)CCCO2.c1cncnc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
CTNNB1 P35222 5/20 0.39
WNT3A P56704 5/20 0.39
RIPK1 Q13546 1/20 0.38
DYRK1A Q13627 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
CLK1 P49759 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.35
OXTR P30559 1/20 0.35
GHSR Q92847 1/20 0.33
GBA1 P04062 1/20 0.33
BRD4 O60885 1/20 0.33

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 SCHEMBL28154578 0.87 ITGB2 (0.48) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL29356442 0.87 ITGB2 (0.52) ITGB2ICAM1ITGALCTNNB1WNT3A
Fluoride SCHEMBL28202465 0.87 ITGB2 (0.52) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL5313090 0.87 ITGB2 (0.52) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL8447 0.87 ITGB2 (0.52) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL28007596 0.87 ITGB2 (0.52) ITGB2ICAM1ITGALCTNNB1WNT3A
Bromide SCHEMBL11373619 0.85 ITGB2 (0.50) ITGB2ICAM1ITGALCTNNB1WNT3A
Ammonia Solution, Strong SCHEMBL2078097 0.85 ITGB2 (0.50) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL7650589 0.85 ITGB2 (0.50) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL29886201 0.85 ITGB2 (0.50) ITGB2ICAM1ITGALCTNNB1WNT3A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423048-B2 Compounds for treating fundic disaccomodation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-09 US disclosed
US-7358239-B2 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-15 US disclosed
US-7273862-B2 Aminoalkyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-25 US disclosed
EP-1036073-B8 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES JANSSEN PHARMACEUTICA NV (BE) 2006-11-15 EP disclosed
EP-1036073-B1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES JANSSEN PHARMACEUTICA NV (BE) 2006-07-26 EP disclosed
US-7081453-B2 Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-25 US disclosed
US-20060142318-A1 Compounds for treating fundic disaccomodation VAN EMELEN KRISTOF 2006-06-29 US disclosed
US-20050159406-A1 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives DE BRUYN MARCEL F L (BE) 2005-07-21 US disclosed
US-6900222-B1 Pyrrolidinyl, piperdinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-31 US disclosed
US-20050096378-A1 Aminoalkyl substituted (benzodioxan, benzofuran or benzopyran) derivatives VAN EMELEN KRISTOF (BE) 2005-05-05 US disclosed
US-20030149093-A1 (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties JANSSEN PHARMACEUTICA NV (BE) 2003-08-07 US disclosed
US-20030083365-A1 (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties JANSSEN PHARMACEUTICA NV (BE) 2003-05-01 US disclosed
EP-1296987-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-02 EP disclosed
EP-1187829-A1 AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2002-03-20 EP disclosed
EP-1187831-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-20 EP disclosed
WO-2001098306-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2001-12-27 WO disclosed
WO-2000075136-A1 AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-12-14 WO disclosed
WO-2000075137-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-12-14 WO disclosed
EP-1036073-A1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-20 EP disclosed
WO-1999029687-A1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 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 (5 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-20030149093-A1 (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties CBR1, CNR1, CNR2 ITGB2 3186/4885ICAM1 2550/4885ITGAL 3964/4885
US-20050159406-A1 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives HRH2, CBR1, CBR3 ITGB2 3803/4885ICAM1 4015/4885ITGAL 3663/4885
US-20030083365-A1 (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties CBR1, CNR1, CNR2 ITGB2 3168/4885ICAM1 2338/4885ITGAL 3873/4885
US-20050096378-A1 Aminoalkyl substituted (benzodioxan, benzofuran or benzopyran) derivatives CBR1, QSOX1, HRH2 ITGB2 1983/4885ICAM1 2169/4885ITGAL 2501/4885
US-20060142318-A1 Compounds for treating fundic disaccomodation ALK, ADORA1, CHRM2 ITGB2 1483/4885ICAM1 3070/4885ITGAL 1481/4885

“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.