SCHEMBL5847666

SCHEMBL5847666

Cc1ccc2c(n1)NCCN2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
UHRF1 Q96T88 1/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
NCF1 P14598 1/20 0.33
ITGB3 P05106 6/20 0.32
ITGAV P06756 6/20 0.32
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL10238742 0.81 CCR1 (0.32) RAB9AUHRF1CYP1A2HTR3EHTR3B
SCHEMBL28728229 0.74 ITGB3 (0.35) ALOX5MEN1RAB9AGFERKMT2A
SCHEMBL6221119 0.74 ITGB3 (0.41) MEN1RAB9AGFERKMT2AITGB3
SCHEMBL6219556 0.74 ITGB3 (0.43) MEN1RAB9AGFERKMT2AITGB3
SCHEMBL4071274 0.74 MEN1 (0.33) MEN1RAB9AGFERKMT2A
SCHEMBL6221922 0.73 HTR6 (0.42) MEN1KMT2ANCF1CYP2C9HTR1A
SCHEMBL22049123 0.73 MEN1 (0.35) MEN1RAB9AGFERKMT2A
SCHEMBL25045266 0.71 UHRF1 (0.32) MEN1RAB9AGFERKMT2AUHRF1
SCHEMBL17813480 0.71 RAB9A (0.37) ALOX5MEN1RAB9AGFERKMT2A
SCHEMBL5847757 0.70 ITGAV (0.42) ITGB3ITGAVITGB1ITGA5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-7115596-B2 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2006-10-03 US disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
US-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058761-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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 (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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 ALOX5 680/4885MEN1 4320/4885RAB9A 1213/4885
US-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB3, ITGB5 ALOX5 2526/4885MEN1 3486/4885RAB9A 814/4885
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGAL ALOX5 2514/4885MEN1 2870/4885RAB9A 1427/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 ALOX5 253/4885MEN1 4048/4885RAB9A 1474/4885
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ITGB1, ITGA2B, ITGB5 ALOX5 1717/4885MEN1 1891/4885RAB9A 1382/4885

“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.